4,6-dimethylpyrimidin-5-ol

• ChemBase ID: 294806
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: Cc1ncnc(C)c1O
• Canonical SMILES: Cc1ncnc(c1O)C
• InChI: InChI=1S/C6H8N2O/c1-4-6(9)5(2)8-3-7-4/h3,9H,1-2H3
• InChIKey: STTRDEPUOJMYIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethylpyrimidin-5-ol
• IUPAC Traditional name: 4,6-dimethylpyrimidin-5-ol
• Synonyms: 4,6-Dimethylpyrimidin-5-ol

Database IDs

• CAS Number: 70345-38-9
• MDL Number: MFCDN/AN/A466666
• PubChem SID: 180680337
• PubChem CID: 12469590

CALCULATED PROPERTIES

• Acid pKa: 9.359092
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.0016638302
• LogD (pH = 7.4): 0.0041461387
• Log P: 0.0089104725
• Molar Refractivity: 33.8862 cm^3
• Polarizability: 12.688543 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%