4-(2,4-dimethoxypyrimidin-5-yl)-2-phenylquinazoline

• ChemBase ID: 717043
• Molecular Formular: C20H16N4O2
• Molecular Mass: 344.36664
• Monoisotopic Mass: 344.12732577
• SMILES: c1(c2c(nc(nc2)OC)OC)nc(nc2c1cccc2)c1ccccc1
• Canonical SMILES: COc1nc(OC)ncc1c1nc(nc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C20H16N4O2/c1-25-19-15(12-21-20(24-19)26-2)17-14-10-6-7-11-16(14)22-18(23-17)13-8-4-3-5-9-13/h3-12H,1-2H3
• InChIKey: SWEJXGBTGASHRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dimethoxypyrimidin-5-yl)-2-phenylquinazoline
• IUPAC Traditional name: 4-(2,4-dimethoxypyrimidin-5-yl)-2-phenylquinazoline
• Synonyms: 4-(2,4-dimethoxypyrimidin-5-yl)-2-phenylquinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.717679
• LogD (pH = 7.4): 4.71775
• Log P: 4.717751
• Molar Refractivity: 108.826 cm^3
• Polarizability: 40.61663 Å^3
• Polar Surface Area: 70.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.24
• LOG S: -5.33
• Polar Surface Area: 70.02 Å^2
• Rotatable Bonds: 4