2-methylpyrimidin-5-ol

• ChemBase ID: 67904
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1(ncc(cn1)O)C
• Canonical SMILES: Oc1cnc(nc1)C
• InChI: InChI=1S/C5H6N2O/c1-4-6-2-5(8)3-7-4/h2-3,8H,1H3
• InChIKey: OHFVPBGSKPYIED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyrimidin-5-ol
• IUPAC Traditional name: 2-methylpyrimidin-5-ol
• Synonyms: 2-Methylpyrimidin-5-ol; 2-Methyl-5-hydroxypyrimidine; 5-Hydroxy-2-methylpyrimidine; 2-Methyl-5-pyrimidinol; 5-HYDROXY-2-METHYLPYRIMIDINE

Database IDs

• CAS Number: 35231-56-2
• MDL Number: MFCD09879706
• PubChem SID: 162033639
• PubChem CID: 535857

CALCULATED PROPERTIES

• Acid pKa: 8.922447
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.27466965
• LogD (pH = 7.4): 0.2628287
• Log P: 0.2752722
• Molar Refractivity: 29.3276 cm^3
• Polarizability: 10.932041 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%

DETAILS

Toronto Research Chemicals - M326115

Pyrimidinyl derivative as insecticide intermediate.

REFERENCES

• Cox, R., et al.: J. Phys. Chem., 72, 1646 (1968)
• Norton, R., et al.: Mol. Cell Biochem., 12, 103 (1976) Imai, E., et al.: Science, 283, 831 (1968)