2-(azidomethyl)imidazo[1,2-a]pyrimidine

• ChemBase ID: 242726
• Molecular Formular: C7H6N6
• Molecular Mass: 174.16274
• Monoisotopic Mass: 174.06539422
• SMILES: c12nc(cn1cccn2)CN=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NCc1cn2c(n1)nccc2
• InChI: InChI=1S/C7H6N6/c8-12-10-4-6-5-13-3-1-2-9-7(13)11-6/h1-3,5H,4H2
• InChIKey: DOQHANASDOULKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azidomethyl)imidazo[1,2-a]pyrimidine
• IUPAC Traditional name: 2-(azidomethyl)imidazo[1,2-a]pyrimidine
• Synonyms: 2-(azidomethyl)imidazo[1,2-a]pyrimidine

Database IDs

• MDL Number: MFCD02690998
• PubChem SID: 164298636
• PubChem CID: 5192400

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.17337865
• LogD (pH = 7.4): -0.17229798
• Log P: -0.058238544
• Molar Refractivity: 47.3758 cm^3
• Polarizability: 16.557625 Å^3
• Polar Surface Area: 59.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.419

Product Information

• Purity: 95%