4-chloro-2,6-dipropylpyrimidine

• ChemBase ID: 282331
• Molecular Formular: C10H15ClN2
• Molecular Mass: 198.6925
• Monoisotopic Mass: 198.09237617
• SMILES: n1c(cc(nc1CCC)CCC)Cl
• Canonical SMILES: CCCc1cc(Cl)nc(n1)CCC
• InChI: InChI=1S/C10H15ClN2/c1-3-5-8-7-9(11)13-10(12-8)6-4-2/h7H,3-6H2,1-2H3
• InChIKey: ZOKNMAFDUFSVPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,6-dipropylpyrimidine
• IUPAC Traditional name: 4-chloro-2,6-dipropylpyrimidine
• Synonyms: 4-chloro-2,6-dipropylpyrimidine

Database IDs

• MDL Number: MFCD12115776
• PubChem SID: 180667862
• PubChem CID: 43670466

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7506602
• LogD (pH = 7.4): 3.7514467
• Log P: 3.7514567
• Molar Refractivity: 56.2601 cm^3
• Polarizability: 21.365294 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.553

Product Information

• Purity: 95%