2,5-dimethylpyrimidin-4-ol

• ChemBase ID: 812340
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(c(nc(nc1)C)O)C
• Canonical SMILES: Cc1ncc(c(n1)O)C
• InChI: InChI=1S/C6H8N2O/c1-4-3-7-5(2)8-6(4)9/h3H,1-2H3,(H,7,8,9)
• InChIKey: HMOMINHDSCYPKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylpyrimidin-4-ol
• IUPAC Traditional name: 2,5-dimethylpyrimidin-4-ol
• Synonyms: 2,5-DIMETHYLPYRIMIDIN-4-OL

Database IDs

• CAS Number: 3059-71-0

CALCULATED PROPERTIES

• Acid pKa: 13.046804
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4014357
• LogD (pH = 7.4): 1.401453
• Log P: 1.4014542
• Molar Refractivity: 34.6823 cm^3
• Polarizability: 12.69003 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%