5-(2-phenylphenyl)pyrimidin-2-amine

• ChemBase ID: 451552
• Molecular Formular: C16H13N3
• Molecular Mass: 247.29452
• Monoisotopic Mass: 247.11094743
• SMILES: c1(ncc(c2c(c3ccccc3)cccc2)cn1)N
• Canonical SMILES: Nc1ncc(cn1)c1ccccc1c1ccccc1
• InChI: InChI=1S/C16H13N3/c17-16-18-10-13(11-19-16)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-11H,(H2,17,18,19)
• InChIKey: YBDYZMGNEKMNEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-phenylphenyl)pyrimidin-2-amine
• IUPAC Traditional name: 5-(2-phenylphenyl)pyrimidin-2-amine
• Synonyms: 5-biphenyl-2-ylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.706879
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1923149
• LogD (pH = 7.4): 3.1940243
• Log P: 3.1940463
• Molar Refractivity: 77.6411 cm^3
• Polarizability: 31.769655 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.85
• LOG S: -3.44
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2