5-methoxy-2-methylpyrimidin-4-ol

• ChemBase ID: 117154
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: n1c(c(cnc1C)OC)O
• Canonical SMILES: COc1cnc(nc1O)C
• InChI: InChI=1S/C6H8N2O2/c1-4-7-3-5(10-2)6(9)8-4/h3H,1-2H3,(H,7,8,9)
• InChIKey: HNRXBZSZNOSWGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-methylpyrimidin-4-ol
• IUPAC Traditional name: 5-methoxy-2-methylpyrimidin-4-ol
• Synonyms: 5-methoxy-2-methylpyrimidin-4-ol

Database IDs

• MDL Number: MFCD00223672
• PubChem SID: 162102248
• PubChem CID: 4181150

CALCULATED PROPERTIES

• Acid pKa: 12.704363
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7055401
• LogD (pH = 7.4): 0.70556074
• Log P: 0.7055631
• Molar Refractivity: 36.1043 cm^3
• Polarizability: 13.486107 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.088

Product Information

• Purity: 95+%