2,4-dichloro-6-ethylpyrimidine

• ChemBase ID: 279325
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: n1c(nc(cc1Cl)CC)Cl
• Canonical SMILES: CCc1cc(Cl)nc(n1)Cl
• InChI: InChI=1S/C6H6Cl2N2/c1-2-4-3-5(7)10-6(8)9-4/h3H,2H2,1H3
• InChIKey: ZEGCKSCTOWFFRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18916409
• PubChem SID: 164335235
• PubChem CID: 246010

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6144135
• LogD (pH = 7.4): 2.6144137
• Log P: 2.6144137
• Molar Refractivity: 43.3054 cm^3
• Polarizability: 16.157797 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.194

Product Information

• Purity: 95%