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Heterocyclic building blocks

Dihydrothymine

Also known as 5,6-Dihydro-5-methyluracil, 5,6-Dihydrothymine, 5-Methyl-5,6-dihydrouracil

CAS 696-04-8Formula C5H8N2O2Molar mass 128.13 g/molEC 211-787-7
GHS signal word: Warning. Pictograms: Harmful or irritant 9 suppliers listed
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Dihydrothymine chemical structure, C5H8N2O2, CAS 696-04-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
696-04-8
Formula
C5H8N2O2
Molar mass
128.13 g/mol
EC number
211-787-7
HS code
293359
Category
Heterocyclic building blocks

What is Dihydrothymine?

Plain description, key identifiers and synonyms

5,6-dihydrothymine is a pyrimidone obtained by formal addition of hydrogen across the 5,6-position of thymine. It has a role as a metabolite, a mouse metabolite and a human metabolite. It is functionally related to a thymine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-methyl-1,3-diazinane-2,4-dione
CAS number
696-04-8 CAS number cross-checked
EC number
211-787-7
Molecular formula
C5H8N2O2
UNII
Z51MHT1W75
MDL number
MFCD00023159
InChIKey
NBAKTGXDIBVZOO-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)
SMILES (canonical and isomeric)
CC1CNC(=O)NC1=O

Synonyms

  • 5,6-Dihydro-5-methyluracil
  • 5,6-Dihydrothymine
  • 5-Methyl-5,6-dihydrouracil
  • 5-Methyldihydropyrimidine-2,4(1H,3H)-dione
  • 5-methyl-1,3-diazinane-2,4-dione
  • Hydrouracil, 5-methyl-
  • 2,4(1H,3H)-Pyrimidinedione, dihydro-5-methyl-
  • 5-methyldihydrouracil
  • 5,6-dihydro thymine
  • 5,6-Dihydro-5-methyl-2,4-dioxypyrimidine
  • 5,6-Dihydro-2,4-dihydroxy-5-methylpyrimidine
  • 5-methyl-1,3,5,6-tetrahydropyrimidine-2,4-dione
  • 5-methylhexahydropyrimidine-2,4-dione
  • 5-Methyl-dihydro-pyrimidine-2,4-dione
  • dihydro-5-methyl-2,4(1H,3H)-Pyrimidinedione
  • Thymine, 5,6-dihydro-
  • 2,3H)-Pyrimidinedione, dihydro-5-methyl-
  • (5R)-5-methylhexahydropyrimidine-2,4-dione
  • 5-Methyldihydro-2,4(1H,3H)-pyrimidinedione #
  • 2-hydroxy-5-methyl-5,6-dihydropyrimidin-4(1H)-one
  • EBCE7D46-D152-4594-B8D9-5AED7AA2C71A
  • pyrimidine-2,4(1H,3H)-dione, 5,6-dihydro-5-methyl-
  • 5,6-Dihydro-5-methyluracil Solution in Water, 1000ug/mL

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
128.13 g/molcalc.
Exact mass
128.0586 Dacalc.
LogP (octanol/water)
-0.54calc.
Topological polar surface area
58.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCNC(=O)N1

O=C1CCNC(=O)N1

1 ring, 8 atoms, the Dihydrouracil ring system.

220 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Dihydrothymine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 9 suppliers
9 of 9 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

9 suppliers in 7 countries

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Dihydrothymine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • mammalian metabolite
  • metabolite
  • mouse metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Dihydrothymine is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Dihydrothymine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Dihydrothymine, based on the data on this page

What is Dihydrothymine?

5,6-dihydrothymine is a pyrimidone obtained by formal addition of hydrogen across the 5,6-position of thymine. It has a role as a metabolite, a mouse metabolite and a human metabolite. It is functionally related to a thymine.

What is the CAS number of Dihydrothymine?

The CAS registry number of Dihydrothymine is 696-04-8.

What is the molecular formula and weight of Dihydrothymine?

The molecular formula of Dihydrothymine is C5H8N2O2 and its molar mass is 128.13 g/mol.

What is Dihydrothymine used for?

Known uses and roles of Dihydrothymine include building blocks in research and laboratory, screening compounds in research and laboratory, animal metabolite, eukaryotic metabolite, human metabolite and 3 more.

Is Dihydrothymine hazardous?

Dihydrothymine carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Dihydrothymine?

Dihydrothymine is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dihydrothymine?

CompoundList lists 9 suppliers of Dihydrothymine in China, Canada, Germany, Hong Kong and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Dihydrothymine?

Suppliers quote Dihydrothymine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Dihydrothymine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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