2-methoxypyrimidin-4-ol

• ChemBase ID: 87230
• Molecular Formular: C5H6N2O2
• Molecular Mass: 126.11334
• Monoisotopic Mass: 126.04292744
• SMILES: n1c(nccc1O)OC
• Canonical SMILES: COc1nc(O)ccn1
• InChI: InChI=1S/C5H6N2O2/c1-9-5-6-3-2-4(8)7-5/h2-3H,1H3,(H,6,7,8)
• InChIKey: PDJZKZLISQIEOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypyrimidin-4-ol
• IUPAC Traditional name: 2-methoxypyrimidin-4-ol
• Synonyms: 2-Methoxypyrimidin-4-ol; 4-Hydroxy-2-methoxypyrimidine

Database IDs

• MDL Number: MFCD00128202
• PubChem SID: 162074346
• PubChem CID: 13698448

CALCULATED PROPERTIES

• Acid pKa: 12.66845
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8617323
• LogD (pH = 7.4): 0.86174
• Log P: 0.86174244
• Molar Refractivity: 31.4259 cm^3
• Polarizability: 11.739748 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Store at -20°C/Store under Argon