{4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenyl}methanol

• ChemBase ID: 695724
• Molecular Formular: C19H19N3O
• Molecular Mass: 305.37366
• Monoisotopic Mass: 305.15281224
• SMILES: c1(c(cnc(n1)NC)c1ccc(cc1)CO)c1ccc(cc1)C
• Canonical SMILES: CNc1ncc(c(n1)c1ccc(cc1)C)c1ccc(cc1)CO
• InChI: InChI=1S/C19H19N3O/c1-13-3-7-16(8-4-13)18-17(11-21-19(20-2)22-18)15-9-5-14(12-23)6-10-15/h3-11,23H,12H2,1-2H3,(H,20,21,22)
• InChIKey: APOFVTLZPFXWIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenyl}methanol
• IUPAC Traditional name: {4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenyl}methanol
• Synonyms: {4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.9638
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.620365
• LogD (pH = 7.4): 3.6275795
• Log P: 3.6276722
• Molar Refractivity: 94.6196 cm^3
• Polarizability: 37.7566 Å^3
• Polar Surface Area: 58.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.35
• LOG S: -4.29
• Polar Surface Area: 58.04 Å^2
• Rotatable Bonds: 4