2-(chloromethyl)-4,6-dimethylpyrimidine

• ChemBase ID: 288646
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: Cc1cc(C)nc(CCl)n1
• Canonical SMILES: ClCc1nc(C)cc(n1)C
• InChI: InChI=1S/C7H9ClN2/c1-5-3-6(2)10-7(4-8)9-5/h3H,4H2,1-2H3
• InChIKey: RVPRPXSYGUYDMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-4,6-dimethylpyrimidine
• IUPAC Traditional name: 2-(chloromethyl)-4,6-dimethylpyrimidine
• Synonyms: 2-(Chloromethyl)-4,6-dimethylpyrimidine

Database IDs

• CAS Number: 74502-83-3
• MDL Number: MFCD09864267
• PubChem SID: 180674177
• PubChem CID: 12682962

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.533062
• LogD (pH = 7.4): 1.5333552
• Log P: 1.533359
• Molar Refractivity: 41.2829 cm^3
• Polarizability: 15.741659 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%