2,4,5-trichloro-6-ethylpyrimidine

• ChemBase ID: 237016
• Molecular Formular: C6H5Cl3N2
• Molecular Mass: 211.4763
• Monoisotopic Mass: 209.95183121
• SMILES: n1c(c(c(nc1Cl)CC)Cl)Cl
• Canonical SMILES: CCc1nc(Cl)nc(c1Cl)Cl
• InChI: InChI=1S/C6H5Cl3N2/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3
• InChIKey: PAMHFOVFWWAYCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,5-trichloro-6-ethylpyrimidine
• IUPAC Traditional name: 2,4,5-trichloro-6-ethylpyrimidine
• Synonyms: 2,4,5-trichloro-6-ethylpyrimidine

Database IDs

• MDL Number: MFCD22196658
• PubChem SID: 164292926
• PubChem CID: 246015

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2184582
• LogD (pH = 7.4): 3.2184584
• Log P: 3.2184584
• Molar Refractivity: 48.1102 cm^3
• Polarizability: 18.16861 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.791

Product Information

• Purity: 95%