4-methyl-5,6,7,8-tetrahydroquinazolin-2-ol

• ChemBase ID: 310036
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1(nc2c(c(n1)C)CCCC2)O
• Canonical SMILES: Oc1nc2CCCCc2c(n1)C
• InChI: InChI=1S/C9H12N2O/c1-6-7-4-2-3-5-8(7)11-9(12)10-6/h2-5H2,1H3,(H,10,11,12)
• InChIKey: SBWKGXYIVNLNHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-5,6,7,8-tetrahydroquinazolin-2-ol
• IUPAC Traditional name: 4-methyl-5,6,7,8-tetrahydroquinazolin-2-ol
• Synonyms: 4-methyl-5,6,7,8-tetrahydro-2-quinazolinol

Database IDs

• CAS Number: 88267-97-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8824928
• LogD (pH = 7.4): 1.8824964
• Log P: 1.8824965
• Molar Refractivity: 46.2991 cm^3
• Polarizability: 17.402029 Å^3
• Polar Surface Area: 46.01 Å^2