5-fluoro-2-methylpyrimidin-4-ol

• ChemBase ID: 288640
• Molecular Formular: C5H5FN2O
• Molecular Mass: 128.1044032
• Monoisotopic Mass: 128.03859101
• SMILES: Fc1cnc(nc1O)C
• Canonical SMILES: Cc1ncc(c(n1)O)F
• InChI: InChI=1S/C5H5FN2O/c1-3-7-2-4(6)5(9)8-3/h2H,1H3,(H,7,8,9)
• InChIKey: DMTSFVIMARJLRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methylpyrimidin-4-ol
• IUPAC Traditional name: 5-fluoro-2-methylpyrimidin-4-ol
• Synonyms: 5-Fluoro-2-methylpyrimidin-4-ol; 5-fluoro-2-methyl-pyrimidin-4-ol

Database IDs

• CAS Number: 1480-91-7
• MDL Number: MFCD16988103
• PubChem SID: 180674171
• PubChem CID: 45080525

CALCULATED PROPERTIES

• Acid pKa: 11.19716
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0486151
• LogD (pH = 7.4): 1.0485506
• Log P: 1.048618
• Molar Refractivity: 29.8575 cm^3
• Polarizability: 10.732877 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%; 98%