4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine

• ChemBase ID: 258850
• Molecular Formular: C8H8ClFN2
• Molecular Mass: 186.6139232
• Monoisotopic Mass: 186.03600417
• SMILES: n1c(nc(c(c1Cl)F)C)C1CC1
• Canonical SMILES: Cc1nc(nc(c1F)Cl)C1CC1
• InChI: InChI=1S/C8H8ClFN2/c1-4-6(10)7(9)12-8(11-4)5-2-3-5/h5H,2-3H2,1H3
• InChIKey: GWTQXXRCLBELDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine
• IUPAC Traditional name: 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine
• Synonyms: 4-chloro-2-cyclopropyl-5-fluoro-6-methylpyrimidine

Database IDs

• MDL Number: MFCD09863461
• PubChem SID: 164314760
• PubChem CID: 25324167

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4751532
• LogD (pH = 7.4): 2.4752057
• Log P: 2.4752064
• Molar Refractivity: 45.4199 cm^3
• Polarizability: 16.760254 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.038

Product Information

• Purity: 95%