4-hydroxy-N,N-dimethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide

• ChemBase ID: 648179
• Molecular Formular: C14H15N3O2
• Molecular Mass: 257.2878
• Monoisotopic Mass: 257.11642674
• SMILES: c1(c(nc(nc1)c1ccc(cc1)C)O)C(=O)N(C)C
• Canonical SMILES: Cc1ccc(cc1)c1ncc(c(n1)O)C(=O)N(C)C
• InChI: InChI=1S/C14H15N3O2/c1-9-4-6-10(7-5-9)12-15-8-11(13(18)16-12)14(19)17(2)3/h4-8H,1-3H3,(H,15,16,18)
• InChIKey: VIJPJPHYHDWSCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-N,N-dimethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
• IUPAC Traditional name: 4-hydroxy-N,N-dimethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
• Synonyms: 4-hydroxy-N,N-dimethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.793674
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1436365
• LogD (pH = 7.4): 3.1434696
• Log P: 3.14364
• Molar Refractivity: 84.3408 cm^3
• Polarizability: 27.70462 Å^3
• Polar Surface Area: 66.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.0
• LOG S: -1.93
• Polar Surface Area: 66.32 Å^2
• Rotatable Bonds: 2