6-methylquinazolin-4-amine

• ChemBase ID: 311467
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: c12c(ncnc1ccc(c2)C)N
• Canonical SMILES: Cc1ccc2c(c1)c(N)ncn2
• InChI: InChI=1S/C9H9N3/c1-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3,(H2,10,11,12)
• InChIKey: QLGGAJVPIQZKIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylquinazolin-4-amine
• IUPAC Traditional name: 6-methylquinazolin-4-amine
• Synonyms: 6-methyl-4-quinazolinamine

Database IDs

• CAS Number: 21419-47-6
• MDL Number: MFCD02343058

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5511155
• LogD (pH = 7.4): 1.7017004
• Log P: 1.7040155
• Molar Refractivity: 48.8556 cm^3
• Polarizability: 18.979876 Å^3
• Polar Surface Area: 51.8 Å^2