4-chloro-6-propylpyrimidine

• ChemBase ID: 114322
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: n1c(cc(nc1)CCC)Cl
• Canonical SMILES: CCCc1cc(Cl)ncn1
• InChI: InChI=1S/C7H9ClN2/c1-2-3-6-4-7(8)10-5-9-6/h4-5H,2-3H2,1H3
• InChIKey: PGPZIGLZSPQJBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-propylpyrimidine
• IUPAC Traditional name: 4-chloro-6-propylpyrimidine
• Synonyms: 4-chloro-6-propylpyrimidine

Database IDs

• MDL Number: MFCD09750200
• PubChem SID: 162099390
• PubChem CID: 22308481

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.150317
• LogD (pH = 7.4): 2.1504304
• Log P: 2.1504319
• Molar Refractivity: 42.4078 cm^3
• Polarizability: 15.929923 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.74

Product Information

• Purity: 95+%