imidazo[1,2-a]pyrimidine-2-carbaldehyde

• ChemBase ID: 274504
• Molecular Formular: C7H5N3O
• Molecular Mass: 147.1341
• Monoisotopic Mass: 147.0432618
• SMILES: c12nc(cn1cccn2)C=O
• Canonical SMILES: O=Cc1cn2c(n1)nccc2
• InChI: InChI=1S/C7H5N3O/c11-5-6-4-10-3-1-2-8-7(10)9-6/h1-5H
• InChIKey: BJPFFMZIQGNKKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyrimidine-2-carbaldehyde
• IUPAC Traditional name: imidazo[1,2-a]pyrimidine-2-carbaldehyde
• Synonyms: imidazo[1,2-a]pyrimidine-2-carbaldehyde

Database IDs

• MDL Number: MFCD09994887
• PubChem SID: 164330414
• PubChem CID: 15152331

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.19425303
• LogD (pH = 7.4): 0.19433926
• Log P: 0.19434035
• Molar Refractivity: 40.9884 cm^3
• Polarizability: 14.338538 Å^3
• Polar Surface Area: 47.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 0.202

Product Information

• Purity: 95%