PYRIMIDINE, 4-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3D1R4OMX4N
EPA CompTox DTXSID5063027

Structure

InChI Key LVILGAOSPDLNRM-UHFFFAOYSA-N
Smiles CC1=CC=NC=N1
InChI
InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6N2
Molecular Weight 94.05
AlogP 0.79
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3438-46-8
NORMAN SUSDAT
FDA SRS 3D1R4OMX4N
PubChem 18922
ChemSpider 17867.0
CONTENTS