6-methyl-2-(4-phenylphenyl)pyrimidin-4-ol

• ChemBase ID: 272667
• Molecular Formular: C17H14N2O
• Molecular Mass: 262.30586
• Monoisotopic Mass: 262.11061308
• SMILES: c1(nc(cc(n1)C)O)c1ccc(cc1)c1ccccc1
• Canonical SMILES: Cc1cc(O)nc(n1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C17H14N2O/c1-12-11-16(20)19-17(18-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)
• InChIKey: RNGPKFZYDPYZEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(4-phenylphenyl)pyrimidin-4-ol
• IUPAC Traditional name: 6-methyl-2-(4-phenylphenyl)pyrimidin-4-ol
• Synonyms: 6-methyl-2-(4-phenylphenyl)pyrimidin-4-ol

Database IDs

• MDL Number: MFCD18380738
• PubChem SID: 164328577
• PubChem CID: 43557148

CALCULATED PROPERTIES

• Acid pKa: 12.592218
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.602642
• LogD (pH = 7.4): 4.602666
• Log P: 4.6026692
• Molar Refractivity: 90.1555 cm^3
• Polarizability: 32.237377 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 275 - 277°C
• Hydrophobicity(logP): 4.794

Product Information

• Purity: 95%