4-chloro-2,5-dimethylpyrimidine

• ChemBase ID: 144009
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: Cc1cnc(nc1Cl)C
• Canonical SMILES: Cc1ncc(c(n1)Cl)C
• InChI: InChI=1S/C6H7ClN2/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3
• InChIKey: QOKSKBJSPUYZAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,5-dimethylpyrimidine
• IUPAC Traditional name: 4-chloro-2,5-dimethylpyrimidine
• Synonyms: 4-Chloro-2,5-dimethylpyrimidine; 4-chloro-2,5-dimethylpyrimidine

Database IDs

• CAS Number: 75712-74-2
• MDL Number: MFCD09754455
• PubChem SID: 162238226
• PubChem CID: 12465381

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9118276
• LogD (pH = 7.4): 1.9121139
• Log P: 1.9121175
• Molar Refractivity: 38.254 cm^3
• Polarizability: 14.024361 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C6H7ClN2

DETAILS

Sigma Aldrich - CBR00286

Other Notes
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Legal Information
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