2-chloro-5-ethoxypyrimidine

• ChemBase ID: 802194
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: c1(cnc(nc1)Cl)OCC
• Canonical SMILES: CCOc1cnc(nc1)Cl
• InChI: InChI=1S/C6H7ClN2O/c1-2-10-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3
• InChIKey: QFRSOKNULFUQDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-ethoxypyrimidine
• IUPAC Traditional name: 2-chloro-5-ethoxypyrimidine
• Synonyms: 2-CHLORO-5-ETHOXY-PYRIMIDINE

Database IDs

• CAS Number: 82153-68-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1574224
• LogD (pH = 7.4): 1.1574225
• Log P: 1.1574225
• Molar Refractivity: 39.4327 cm^3
• Polarizability: 14.950295 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%