2,4-dimethylpyrimidin-5-ol

• ChemBase ID: 289908
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: Oc1cnc(C)nc1C
• Canonical SMILES: Cc1ncc(c(n1)C)O
• InChI: InChI=1S/C6H8N2O/c1-4-6(9)3-7-5(2)8-4/h3,9H,1-2H3
• InChIKey: NJRAXBYJSOFRQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 412003-95-3
• MDL Number: MFCD18072447
• PubChem SID: 180675439
• PubChem CID: 45080082

CALCULATED PROPERTIES

• Acid pKa: 9.432203
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4706611
• LogD (pH = 7.4): 0.4720311
• Log P: 0.47600004
• Molar Refractivity: 33.9191 cm^3
• Polarizability: 12.689116 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%