5-bromo-4,6-dimethylpyrimidine

• ChemBase ID: 90058
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: n1cnc(c(c1C)Br)C
• Canonical SMILES: Cc1ncnc(c1Br)C
• InChI: InChI=1S/C6H7BrN2/c1-4-6(7)5(2)9-3-8-4/h3H,1-2H3
• InChIKey: WDMWXYZJJVYMHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4,6-dimethylpyrimidine
• IUPAC Traditional name: 5-bromo-4,6-dimethylpyrimidine
• Synonyms: 5-Bromo-4,6-dimethylpyrimidine

Database IDs

• MDL Number: MFCD08059561
• PubChem SID: 162076913
• PubChem CID: 14922221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0805634
• LogD (pH = 7.4): 1.08122
• Log P: 1.0812284
• Molar Refractivity: 39.5281 cm^3
• Polarizability: 14.963175 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true