4-methyl-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

• ChemBase ID: 310034
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: n1c(=O)[nH]c2c(c1C)CCC2
• Canonical SMILES: Cc1nc(=O)[nH]c2c1CCC2
• InChI: InChI=1S/C8H10N2O/c1-5-6-3-2-4-7(6)10-8(11)9-5/h2-4H2,1H3,(H,9,10,11)
• InChIKey: KQUXCKYKMCJICY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
• IUPAC Traditional name: 4-methyl-1H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
• Synonyms: 4-methyl-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one

Database IDs

• CAS Number: 88267-95-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2660854
• LogD (pH = 7.4): 0.26591277
• Log P: 0.26608837
• Molar Refractivity: 42.4533 cm^3
• Polarizability: 15.710554 Å^3
• Polar Surface Area: 41.46 Å^2