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Heterocyclic building blocks

(+)-Mephobarbitol

Also known as (S)-5-Ethyl-1-methyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-phenyl-, (S)-, (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

CAS 2671-99-0Formula C13H14N2O3Molar mass 246.27 g/mol
Prohibited, not for trade
Why it is not for trade
(+)-Mephobarbitol chemical structure, C13H14N2O3, CAS 2671-99-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2671-99-0
Formula
C13H14N2O3
Molar mass
246.27 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is (+)-Mephobarbitol?

Plain description, key identifiers and synonyms

(+)-Mephobarbitol is a chemical substance with the molecular formula C13H14N2O3 and a molar mass of 246.27 g/mol. Its CAS registry number is 2671-99-0. The IUPAC name is (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
CAS number
2671-99-0 CAS number cross-checked
Molecular formula
C13H14N2O3
InChIKey
ALARQZQTBTVLJV-ZDUSSCGKSA-N
InChI
InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)/t13-/m0/s1
Canonical SMILES
CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
Isomeric SMILES
CC[C@@]1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2

Synonyms

  • (S)-5-Ethyl-1-methyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-phenyl-, (S)-
  • (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
  • (S)-Methylphenobarbital
  • 5-ethyl-1-methyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-\ trione

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
246.27 g/molcalc.
Exact mass
246.1004 Dacalc.
LogP (octanol/water)
1.04calc.
Topological polar surface area
66.48 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.31calc.
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=C1NC(=O)C(c2ccccc2)C(=O)N1

O=C1NC(=O)C(c2ccccc2)C(=O)N1

2 rings, 15 atoms, the 5-Phenylbarbituric acid ring system.

176 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

(+)-Mephobarbitol suppliers

Trading restrictions apply to this substance

Psychotropic substance

(+)-Mephobarbitol is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Convention on Psychotropic Substances 1971, HS 2022 subheading 2933.53 (barbiturates)

Our policy on controlled substances

(+)-Mephobarbitol price

Indicative price range per kg from live supplier offers

Prices are not shown for prohibited substances.

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

Psychotropic substance

(+)-Mephobarbitol is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Convention on Psychotropic Substances 1971, HS 2022 subheading 2933.53 (barbiturates)

Our policy on controlled substances

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code (+)-Mephobarbitol 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 (+)-Mephobarbitol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about (+)-Mephobarbitol, based on the data on this page

What is (+)-Mephobarbitol?

(+)-Mephobarbitol is a chemical substance with the molecular formula C13H14N2O3 and a molar mass of 246.27 g/mol. Its CAS registry number is 2671-99-0. The IUPAC name is (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.

What is the CAS number of (+)-Mephobarbitol?

The CAS registry number of (+)-Mephobarbitol is 2671-99-0.

What is the molecular formula and weight of (+)-Mephobarbitol?

The molecular formula of (+)-Mephobarbitol is C13H14N2O3 and its molar mass is 246.27 g/mol.

What is (+)-Mephobarbitol used for?

Known uses and roles of (+)-Mephobarbitol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is (+)-Mephobarbitol hazardous?

No GHS hazard classification for (+)-Mephobarbitol is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of (+)-Mephobarbitol?

(+)-Mephobarbitol 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.

Can I buy (+)-Mephobarbitol on CompoundList?

No. (+)-Mephobarbitol is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

Practical guides that help when you source, ship or handle (+)-Mephobarbitol

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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