5-bromo-2,4,6-trimethylpyrimidine

• ChemBase ID: 801490
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: c1(c(nc(nc1C)C)C)Br
• Canonical SMILES: Cc1nc(C)c(c(n1)C)Br
• InChI: InChI=1S/C7H9BrN2/c1-4-7(8)5(2)10-6(3)9-4/h1-3H3
• InChIKey: LRUOPXBELNUDJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,4,6-trimethylpyrimidine
• IUPAC Traditional name: 5-bromo-2,4,6-trimethylpyrimidine
• Synonyms: 5-BROMO-2,4,6-TRIMETHYLPYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7212142
• LogD (pH = 7.4): 1.727839
• Log P: 1.7279242
• Molar Refractivity: 44.1525 cm^3
• Polarizability: 16.697468 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%