4-bromo-2,6-dimethylpyrimidine

• ChemBase ID: 267762
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: n1c(cc(nc1C)C)Br
• Canonical SMILES: Cc1cc(Br)nc(n1)C
• InChI: InChI=1S/C6H7BrN2/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3
• InChIKey: PTCKNLGMBFKIFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09038905
• PubChem SID: 164323672
• PubChem CID: 10965245

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8459492
• LogD (pH = 7.4): 1.8466234
• Log P: 1.846632
• Molar Refractivity: 40.4032 cm^3
• Polarizability: 15.006183 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%