5-fluoro-2,4-dimethoxypyrimidine

• ChemBase ID: 58985
• Molecular Formular: C6H7FN2O2
• Molecular Mass: 158.1303832
• Monoisotopic Mass: 158.04915569
• SMILES: c1nc(nc(c1F)OC)OC
• Canonical SMILES: COc1ncc(c(n1)OC)F
• InChI: InChI=1S/C6H7FN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3
• InChIKey: UVMHPMWNQRWMCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2,4-dimethoxypyrimidine
• IUPAC Traditional name: 5-fluoro-2,4-dimethoxypyrimidine
• Synonyms: 5-Fluoro-2,4-dimethoxypyrimidine

Database IDs

• MDL Number: MFCD00792651
• PubChem SID: 162063748
• PubChem CID: 268774

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1503323
• LogD (pH = 7.4): 1.1503383
• Log P: 1.1503384
• Molar Refractivity: 36.1246 cm^3
• Polarizability: 13.437912 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false