6-(2,6-dimethoxyphenyl)quinazolin-4-amine

• ChemBase ID: 865494
• Molecular Formular: C16H15N3O2
• Molecular Mass: 281.3092
• Monoisotopic Mass: 281.11642674
• SMILES: c12cc(c3c(OC)cccc3OC)ccc2ncnc1N
• Canonical SMILES: COc1cccc(c1c1ccc2c(c1)c(N)ncn2)OC
• InChI: InChI=1S/C16H15N3O2/c1-20-13-4-3-5-14(21-2)15(13)10-6-7-12-11(8-10)16(17)19-9-18-12/h3-9H,1-2H3,(H2,17,18,19)
• InChIKey: ALTVLUGPDACQJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,6-dimethoxyphenyl)quinazolin-4-amine
• IUPAC Traditional name: 6-(2,6-dimethoxyphenyl)quinazolin-4-amine
• Synonyms: 6-(2,6-dimethoxyphenyl)quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.434469
• LogD (pH = 7.4): 2.5212467
• Log P: 2.522477
• Molar Refractivity: 81.877 cm^3
• Polarizability: 33.22019 Å^3
• Polar Surface Area: 70.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.89
• LOG S: -2.87
• Polar Surface Area: 70.26 Å^2
• Rotatable Bonds: 3