6-methyl-2-phenylpyrimidin-4-ol

• ChemBase ID: 57265
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: n1c(nc(cc1O)C)c1ccccc1
• Canonical SMILES: Cc1cc(O)nc(n1)c1ccccc1
• InChI: InChI=1S/C11H10N2O/c1-8-7-10(14)13-11(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)
• InChIKey: BQXCSFIZYMLIAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-phenylpyrimidin-4-ol
• IUPAC Traditional name: 6-methyl-2-phenylpyrimidin-4-ol
• Synonyms: 6-Methyl-2-phenylpyrimidin-4-ol; 6-methyl-2-phenyl-pyrimidin-4-ol

Database IDs

• CAS Number: 13514-79-9
• MDL Number: MFCD01533874
• PubChem SID: 162062028
• PubChem CID: 604122

CALCULATED PROPERTIES

• Acid pKa: 12.592477
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9456875
• LogD (pH = 7.4): 2.9457116
• Log P: 2.9457147
• Molar Refractivity: 65.0193 cm^3
• Polarizability: 21.19151 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%