6-methylpyrimidine-2,4-diol

• ChemBase ID: 108860
• Molecular Formular: C5H6N2O2
• Molecular Mass: 126.11334
• Monoisotopic Mass: 126.04292744
• SMILES: Cc1cc(O)nc(O)n1
• Canonical SMILES: Cc1cc(O)nc(n1)O
• InChI: InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
• InChIKey: SHVCSCWHWMSGTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyrimidine-2,4-diol
• IUPAC Traditional name: 6-methylpyrimidine-2,4-diol
• Synonyms: 6-METHYLURACIL; 2,4-Dihydroxy-6-MethylpyriMidine; 2,4-Dihydroxy-6-MethylpyriMidine; 6-甲基脲嘧啶

Database IDs

• CAS Number: 626-48-2
• PubChem SID: 162094637
• PubChem CID: 12283

CALCULATED PROPERTIES

• Acid pKa: 12.205897
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.84721816
• LogD (pH = 7.4): 0.84721184
• Log P: 0.8472185
• Molar Refractivity: 31.5351 cm^3
• Polarizability: 11.600845 Å^3
• Polar Surface Area: 66.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05209017

MP Biomedicals Rare Chemical collection