7-methyl-2-phenylimidazo[1,2-a]pyrimidin-5-ol

• ChemBase ID: 40302
• Molecular Formular: C13H11N3O
• Molecular Mass: 225.24594
• Monoisotopic Mass: 225.09021199
• SMILES: n12c(nc(c2)c2ccccc2)nc(cc1O)C
• Canonical SMILES: Cc1cc(O)n2c(n1)nc(c2)c1ccccc1
• InChI: InChI=1S/C13H11N3O/c1-9-7-12(17)16-8-11(15-13(16)14-9)10-5-3-2-4-6-10/h2-8,17H,1H3
• InChIKey: YLEDAQSGJNLHRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-phenylimidazo[1,2-a]pyrimidin-5-ol
• IUPAC Traditional name: 7-methyl-2-phenylimidazo[1,2-a]pyrimidin-5-ol
• Synonyms: 7-Methyl-2-phenylimidazo[1,2-a]pyrimidin-5-ol

Database IDs

• CAS Number: 95980-02-2
• MDL Number: MFCD03001195
• PubChem SID: 162045065
• PubChem CID: 2763440

CALCULATED PROPERTIES

• Acid pKa: 11.944669
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7569544
• LogD (pH = 7.4): 1.7574477
• Log P: 1.7574664
• Molar Refractivity: 65.3795 cm^3
• Polarizability: 25.742765 Å^3
• Polar Surface Area: 50.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 315 - 317 °C; 315-317°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%