4-chloro-5-ethyl-2-methylpyrimidine

• ChemBase ID: 307982
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: n1c(c(cnc1C)CC)Cl
• Canonical SMILES: CCc1cnc(nc1Cl)C
• InChI: InChI=1S/C7H9ClN2/c1-3-6-4-9-5(2)10-7(6)8/h4H,3H2,1-2H3
• InChIKey: RHRZSUJCSOWRHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5-ethyl-2-methylpyrimidine
• IUPAC Traditional name: 4-chloro-5-ethyl-2-methylpyrimidine
• Synonyms: 4-chloro-5-ethyl-2-methylpyrimidine

Database IDs

• CAS Number: 959239-71-5
• MDL Number: MFCD09754453

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3320928
• LogD (pH = 7.4): 2.3323534
• Log P: 2.3323567
• Molar Refractivity: 42.855 cm^3
• Polarizability: 15.856546 Å^3
• Polar Surface Area: 25.78 Å^2