5,7-dichloroimidazo[1,2-a]pyrimidine

• ChemBase ID: 167073
• Molecular Formular: C6H3Cl2N3
• Molecular Mass: 188.01412
• Monoisotopic Mass: 186.97040247
• SMILES: c1(cc(n2c(n1)ncc2)Cl)Cl
• Canonical SMILES: Clc1cc(Cl)n2c(n1)ncc2
• InChI: InChI=1S/C6H3Cl2N3/c7-4-3-5(8)11-2-1-9-6(11)10-4/h1-3H
• InChIKey: WMHORUUVAKBDSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dichloroimidazo[1,2-a]pyrimidine
• IUPAC Traditional name: 5,7-dichloroimidazo[1,2-a]pyrimidine
• Synonyms: 5,7-Dichloroimidazo[1,2-a]pyrimidine

Database IDs

• CAS Number: 57473-32-2
• PubChem SID: 162261206
• PubChem CID: 23125107

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9483581
• LogD (pH = 7.4): 0.9505441
• Log P: 0.9505721
• Molar Refractivity: 45.4616 cm^3
• Polarizability: 16.380999 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Light Yellow Solid
• Melting Point: >240°C (dec.)

Safety Information

• Storage Condition: -20°C Freezer