2-(4-bromophenyl)-6-methylpyrimidin-4-ol

• ChemBase ID: 310751
• Molecular Formular: C11H9BrN2O
• Molecular Mass: 265.10596
• Monoisotopic Mass: 263.98982492
• SMILES: c1(nc(cc(n1)C)O)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)c1nc(C)cc(n1)O
• InChI: InChI=1S/C11H9BrN2O/c1-7-6-10(15)14-11(13-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
• InChIKey: UUMPRRJUFLDOCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)-6-methylpyrimidin-4-ol
• IUPAC Traditional name: 2-(4-bromophenyl)-6-methylpyrimidin-4-ol
• Synonyms: 2-(4-bromophenyl)-6-methyl-4-pyrimidinol

Database IDs

• CAS Number: 180606-52-4
• MDL Number: MFCD00697484

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.717434
• LogD (pH = 7.4): 3.7174573
• Log P: 3.7174604
• Molar Refractivity: 72.6421 cm^3
• Polarizability: 23.93563 Å^3
• Polar Surface Area: 46.01 Å^2