2-chloro-4-ethyl-5-methylpyrimidine

• ChemBase ID: 309135
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: n1c(ncc(c1CC)C)Cl
• Canonical SMILES: CCc1nc(Cl)ncc1C
• InChI: InChI=1S/C7H9ClN2/c1-3-6-5(2)4-9-7(8)10-6/h4H,3H2,1-2H3
• InChIKey: KZVIHMGIQQVEAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18447655

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3036127
• LogD (pH = 7.4): 2.3036132
• Log P: 2.3036132
• Molar Refractivity: 42.4805 cm^3
• Polarizability: 15.912975 Å^3
• Polar Surface Area: 25.78 Å^2