5-methoxypyrimidin-4-ol

• ChemBase ID: 117153
• Molecular Formular: C5H6N2O2
• Molecular Mass: 126.11334
• Monoisotopic Mass: 126.04292744
• SMILES: c1(c(OC)cncn1)O
• Canonical SMILES: COc1cncnc1O
• InChI: InChI=1S/C5H6N2O2/c1-9-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)
• InChIKey: WOKGGVGWBXBJPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxypyrimidin-4-ol
• IUPAC Traditional name: 5-methoxypyrimidin-4-ol
• Synonyms: 5-methoxypyrimidin-4-ol

Database IDs

• MDL Number: MFCD00188075
• PubChem SID: 162101957
• PubChem CID: 581046

CALCULATED PROPERTIES

• Acid pKa: 12.462001
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.18294935
• LogD (pH = 7.4): 0.1829526
• Log P: 0.1829564
• Molar Refractivity: 31.4799 cm^3
• Polarizability: 11.735878 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.42

Product Information

• Purity: 95+%