5-(2,6-dimethoxypyridin-3-yl)-N-methyl-4-(4-methylphenyl)pyrimidin-2-amine

• ChemBase ID: 573611
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: c1(c(nc(nc1)NC)c1ccc(cc1)C)c1c(nc(cc1)OC)OC
• Canonical SMILES: COc1nc(OC)ccc1c1cnc(nc1c1ccc(cc1)C)NC
• InChI: InChI=1S/C19H20N4O2/c1-12-5-7-13(8-6-12)17-15(11-21-19(20-2)23-17)14-9-10-16(24-3)22-18(14)25-4/h5-11H,1-4H3,(H,20,21,23)
• InChIKey: LVJOUQTWLAXFAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,6-dimethoxypyridin-3-yl)-N-methyl-4-(4-methylphenyl)pyrimidin-2-amine
• IUPAC Traditional name: 5-(2,6-dimethoxypyridin-3-yl)-N-methyl-4-(4-methylphenyl)pyrimidin-2-amine
• Synonyms: 5-(2,6-dimethoxypyridin-3-yl)-N-methyl-4-(4-methylphenyl)pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.379486
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 4.045824
• LogD (pH = 7.4): 4.0508575
• Log P: 4.050922
• Molar Refractivity: 99.2002 cm^3
• Polarizability: 39.369556 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.69
• LOG S: -4.81
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 5