2,4-dichloro-5-ethylpyrimidine

• ChemBase ID: 288931
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: CCc1c(Cl)nc(Cl)nc1
• Canonical SMILES: CCc1cnc(nc1Cl)Cl
• InChI: InChI=1S/C6H6Cl2N2/c1-2-4-3-9-6(8)10-5(4)7/h3H,2H2,1H3
• InChIKey: YFYFVWTWMBQHOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5-ethylpyrimidine
• IUPAC Traditional name: 2,4-dichloro-5-ethylpyrimidine
• Synonyms: 2,4-Dichloro-5-ethylpyrimidine

Database IDs

• CAS Number: 34171-40-9
• MDL Number: MFCD11040247
• PubChem SID: 180674462
• PubChem CID: 10012458

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7404976
• LogD (pH = 7.4): 2.7404978
• Log P: 2.7404978
• Molar Refractivity: 43.7292 cm^3
• Polarizability: 16.155668 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%