6-methyl-5-(2-phenylphenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 795144
• Molecular Formular: C17H14N2O2
• Molecular Mass: 278.30526
• Monoisotopic Mass: 278.1055277
• SMILES: c1(c(=O)[nH]c(=O)[nH]c1C)c1c(c2ccccc2)cccc1
• Canonical SMILES: Cc1[nH]c(=O)[nH]c(=O)c1c1ccccc1c1ccccc1
• InChI: InChI=1S/C17H14N2O2/c1-11-15(16(20)19-17(21)18-11)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,1H3,(H2,18,19,20,21)
• InChIKey: HDVVSFFIWJDRDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-(2-phenylphenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-methyl-5-(2-phenylphenyl)-1,3-dihydropyrimidine-2,4-dione
• Synonyms: 5-(2-biphenylyl)-6-methyl-2,4(1H,3H)-pyrimidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.90361
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.662078
• LogD (pH = 7.4): 2.6607506
• Log P: 2.6620948
• Molar Refractivity: 81.3767 cm^3
• Polarizability: 32.016193 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.53
• LOG S: -3.39
• Polar Surface Area: 65.72 Å^2
• Rotatable Bonds: 2