AromaDb: A Database of Plant's Aroma Molecules

4-Acetyl-2-methylpyrimidine Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
67860-38-2
:Description

:Fragrance Type
Burnt meaty aroma

Physical and Chemical properties

PUBCHEM ID5362572
Molecular Weight (mg/mol)136.155
Molecular FormulaC7H8N2O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
IUPAC Name
Canonical SMILESCC(=O)c1ccnc(C)n1
PUBCHEM IUPAC INCHIKEYZADBZWAGUOHTAB-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-1.5

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA42.85
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP980.175
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.110573
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 67860-38-2
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 67860-38-2 4-Acetyl-2-methylpyrimidine

Compound Image


2D Structure

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