2-bromo-4,6-dimethylpyrimidine

• ChemBase ID: 274231
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(nc(cc(n1)C)C)Br
• Canonical SMILES: Cc1cc(C)nc(n1)Br
• InChI: InChI=1S/C6H7BrN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3
• InChIKey: OUOPRQQOGBFPHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4,6-dimethylpyrimidine
• IUPAC Traditional name: 2-bromo-4,6-dimethylpyrimidine
• Synonyms: 2-bromo-4,6-dimethylpyrimidine

Database IDs

• CAS Number: 16879-39-3
• MDL Number: MFCD09910233
• PubChem SID: 164330141
• PubChem CID: 12758425

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3710749
• LogD (pH = 7.4): 1.3710788
• Log P: 1.371079
• Molar Refractivity: 40.0028 cm^3
• Polarizability: 15.058808 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.587

Product Information

• Purity: 95%; 95+%