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Heterocyclic building blocks

Acetonin

Also known as Acetonine, Pyrimidine, 1,2,5,6-tetrahydro-2,2,4,6,6-pentamethyl-, 1,2,5,6-Tetrahydro-2,2,4,6,6-pentamethylpyrimidine

CAS 556-72-9Formula C9H18N2Molar mass 154.26 g/molEC 209-139-3
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Acetonin chemical structure, C9H18N2, CAS 556-72-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
556-72-9
Formula
C9H18N2
Molar mass
154.26 g/mol
EC number
209-139-3
HS code
293359
Category
Heterocyclic building blocks

What is Acetonin?

Plain description, key identifiers and synonyms

Acetonin is a chemical substance with the molecular formula C9H18N2 and a molar mass of 154.26 g/mol. Its CAS registry number is 556-72-9. The IUPAC name is 2,2,4,6,6-pentamethyl-1,5-dihydropyrimidine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,2,4,6,6-pentamethyl-1,5-dihydropyrimidine
CAS number
556-72-9 CAS number cross-checked
EC number
209-139-3
Molecular formula
C9H18N2
UNII
AVP0X7K1TC
InChIKey
PIFBMJMXJMZZRG-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2/c1-7-6-8(2,3)11-9(4,5)10-7/h11H,6H2,1-5H3
SMILES (canonical and isomeric)
CC1=NC(NC(C1)(C)C)(C)C

Synonyms

  • Acetonine
  • Pyrimidine, 1,2,5,6-tetrahydro-2,2,4,6,6-pentamethyl-
  • 1,2,5,6-Tetrahydro-2,2,4,6,6-pentamethylpyrimidine
  • 2,2,4,6,6-Pentamethyltetrahydro pyrimidine
  • Pyrimidine, 2,2,4,6,6-pentamethyl tetrahydro-
  • 5-23-04-00066 (Beilstein Handbook Reference)
  • 2,2,4,6,6-pentamethyl-1,5-dihydropyrimidine
  • 2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydropyrimidine
  • 2,3,4,5-Tetrahydro-2,2,4,4,6-pentamethylpyrimidine
  • 2,2,4,4,6-Pentamethyl-2,3,4,5-tetrahydropyrimidine
  • 2,2,4,4,6-pentamethyl-3,5-dihydro-pyrimidine
  • 2,2,4,6,6-Pentamethyl-2,3,4,5-tetra-hydropyrimidine

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
154.26 g/molcalc.
Exact mass
154.147 Dacalc.
LogP (octanol/water)
1.96calc.
Topological polar surface area
24.39 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
Formal charge
0calc.
Stereocentres
0calc.
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, C1=NCNCC1

C1=NCNCC1

1 ring, 6 atoms.

4 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.

Acetonin suppliers

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Acetonin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

Frequently asked questions

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

What is Acetonin?

Acetonin is a chemical substance with the molecular formula C9H18N2 and a molar mass of 154.26 g/mol. Its CAS registry number is 556-72-9. The IUPAC name is 2,2,4,6,6-pentamethyl-1,5-dihydropyrimidine.

What is the CAS number of Acetonin?

The CAS registry number of Acetonin is 556-72-9.

What is the molecular formula and weight of Acetonin?

The molecular formula of Acetonin is C9H18N2 and its molar mass is 154.26 g/mol.

What is Acetonin used for?

Known uses and roles of Acetonin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Acetonin hazardous?

No GHS hazard classification for Acetonin 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 Acetonin?

Acetonin 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 Acetonin?

Post a free request on CompoundList and suppliers of Acetonin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Acetonin?

Suppliers quote Acetonin 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 Acetonin

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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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