2,4,5-trichloro-6-methylpyrimidine

• ChemBase ID: 236510
• Molecular Formular: C5H3Cl3N2
• Molecular Mass: 197.44972
• Monoisotopic Mass: 195.93618115
• SMILES: n1c(c(c(nc1Cl)C)Cl)Cl
• Canonical SMILES: Clc1nc(C)c(c(n1)Cl)Cl
• InChI: InChI=1S/C5H3Cl3N2/c1-2-3(6)4(7)10-5(8)9-2/h1H3
• InChIKey: IUFVGONBAUNAOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01103615
• PubChem SID: 164292420
• PubChem CID: 231055

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5179224
• LogD (pH = 7.4): 2.5179224
• Log P: 2.5179224
• Molar Refractivity: 43.4833 cm^3
• Polarizability: 16.359709 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.262

Product Information

• Purity: 95%