4-bromo-2-chloro-6-methylpyrimidine

• ChemBase ID: 801488
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: c1c(nc(nc1C)Cl)Br
• Canonical SMILES: Cc1cc(Br)nc(n1)Cl
• InChI: InChI=1S/C5H4BrClN2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3
• InChIKey: IAZHWQUUIZLBAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-chloro-6-methylpyrimidine
• IUPAC Traditional name: 4-bromo-2-chloro-6-methylpyrimidine
• Synonyms: 4-BROMO-2-CHLORO-6-METHYLPYRIMIDINE

Database IDs

• CAS Number: 1137576-45-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0639305
• LogD (pH = 7.4): 2.0639305
• Log P: 2.0639305
• Molar Refractivity: 41.2774 cm^3
• Polarizability: 15.389589 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%