5-fluoro-6-methylpyrimidin-4-ol

• ChemBase ID: 292820
• Molecular Formular: C5H5FN2O
• Molecular Mass: 128.1044032
• Monoisotopic Mass: 128.03859101
• SMILES: Oc1ncnc(C)c1F
• Canonical SMILES: Fc1c(C)ncnc1O
• InChI: InChI=1S/C5H5FN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)
• InChIKey: JLXKUJWGTMEFDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-6-methylpyrimidin-4-ol
• IUPAC Traditional name: 5-fluoro-6-methylpyrimidin-4-ol
• Synonyms: 5-Fluoro-6-methylpyrimidin-4-ol

Database IDs

• CAS Number: 2145-53-1
• PubChem SID: 180678351
• PubChem CID: 3535546

CALCULATED PROPERTIES

• Acid pKa: 11.182359
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.61469644
• LogD (pH = 7.4): 0.6146292
• Log P: 0.6146998
• Molar Refractivity: 29.8246 cm^3
• Polarizability: 10.7323475 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%