2-methoxypyrimidin-5-ol

• ChemBase ID: 803639
• Molecular Formular: C5H6N2O2
• Molecular Mass: 126.11334
• Monoisotopic Mass: 126.04292744
• SMILES: c1(cnc(nc1)OC)O
• Canonical SMILES: COc1ncc(cn1)O
• InChI: InChI=1S/C5H6N2O2/c1-9-5-6-2-4(8)3-7-5/h2-3,8H,1H3
• InChIKey: PCZQRJXEHGOEJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypyrimidin-5-ol
• IUPAC Traditional name: 2-methoxypyrimidin-5-ol
• Synonyms: 5-HYDROXY-2-METHOXYPYRIMIDINE

Database IDs

• CAS Number: 91233-70-4

CALCULATED PROPERTIES

• Acid pKa: 8.518965
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.26686907
• LogD (pH = 7.4): 0.23612256
• Log P: 0.2672849
• Molar Refractivity: 31.1124 cm^3
• Polarizability: 11.74041 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%