5-chloro-2-propylpyrimidine

• ChemBase ID: 803798
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: c1(cnc(nc1)CCC)Cl
• Canonical SMILES: CCCc1ncc(cn1)Cl
• InChI: InChI=1S/C7H9ClN2/c1-2-3-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3
• InChIKey: YYRHYNQGUGMMMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-propylpyrimidine
• IUPAC Traditional name: 5-chloro-2-propylpyrimidine
• Synonyms: 5-CHLORO-2-PROPYLPYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1880925
• LogD (pH = 7.4): 2.1881196
• Log P: 2.18812
• Molar Refractivity: 41.3794 cm^3
• Polarizability: 15.892828 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%