1H-PURINE, 6-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SEO6WX0OZG
EPA CompTox DTXSID6073283

Structure

InChI Key SYMHUEFSSMBHJA-UHFFFAOYSA-N
Smiles Cc1ncnc2c1[nH]cn2
InChI
InChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6N4
Molecular Weight 134.06
AlogP 0.66
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 54.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2004-03-7
NORMAN SUSDAT
FDA SRS SEO6WX0OZG
PubChem 5287547
ChemSpider 386561.0
CONTENTS