4-chloro-5,6-dimethylpyrimidine

• ChemBase ID: 309209
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1(c(ncnc1C)Cl)C
• Canonical SMILES: Cc1c(C)ncnc1Cl
• InChI: InChI=1S/C6H7ClN2/c1-4-5(2)8-3-9-6(4)7/h3H,1-2H3
• InChIKey: MJRSZADMKJVGQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5,6-dimethylpyrimidine
• IUPAC Traditional name: 4-chloro-5,6-dimethylpyrimidine
• Synonyms: 4-chloro-5,6-dimethylpyrimidine

Database IDs

• CAS Number: 67434-65-5
• MDL Number: MFCD09909775

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5186062
• LogD (pH = 7.4): 1.5187471
• Log P: 1.5187489
• Molar Refractivity: 38.2211 cm^3
• Polarizability: 14.023362 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%