6,7-dimethoxy-2-(5-methylpyridin-3-yl)quinazolin-4-amine

• ChemBase ID: 753341
• Molecular Formular: C16H16N4O2
• Molecular Mass: 296.32384
• Monoisotopic Mass: 296.12732577
• SMILES: n1c(nc2c(c1N)cc(c(c2)OC)OC)c1cc(cnc1)C
• Canonical SMILES: COc1cc2nc(nc(c2cc1OC)N)c1cncc(c1)C
• InChI: InChI=1S/C16H16N4O2/c1-9-4-10(8-18-7-9)16-19-12-6-14(22-3)13(21-2)5-11(12)15(17)20-16/h4-8H,1-3H3,(H2,17,19,20)
• InChIKey: PBXCXUGCBBXKOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-2-(5-methylpyridin-3-yl)quinazolin-4-amine
• IUPAC Traditional name: 6,7-dimethoxy-2-(5-methylpyridin-3-yl)quinazolin-4-amine
• Synonyms: 6,7-dimethoxy-2-(5-methylpyridin-3-yl)quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.2482767
• LogD (pH = 7.4): 2.5012102
• Log P: 2.505579
• Molar Refractivity: 95.0362 cm^3
• Polarizability: 33.36659 Å^3
• Polar Surface Area: 83.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.17
• LOG S: -2.36
• Polar Surface Area: 83.15 Å^2
• Rotatable Bonds: 3