imidazo[1,2-c]pyrimidine-2-carbonyl chloride

• ChemBase ID: 90990
• Molecular Formular: C7H4ClN3O
• Molecular Mass: 181.57916
• Monoisotopic Mass: 181.00428944
• SMILES: n1c2n(cc1C(=O)Cl)cncc2
• Canonical SMILES: ClC(=O)c1cn2c(n1)ccnc2
• InChI: InChI=1S/C7H4ClN3O/c8-7(12)5-3-11-4-9-2-1-6(11)10-5/h1-4H
• InChIKey: KTFAKCZLYUYWJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-c]pyrimidine-2-carbonyl chloride
• IUPAC Traditional name: imidazo[1,2-c]pyrimidine-2-carbonyl chloride
• Synonyms: Imidazo[1,2-c]pyrimidine-2-carbonyl chloride 95%

Database IDs

• MDL Number: MFCD08235244
• PubChem SID: 162077694
• PubChem CID: 26967370

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.119494975
• LogD (pH = 7.4): 0.13771878
• Log P: 0.13795817
• Molar Refractivity: 44.8751 cm^3
• Polarizability: 16.25644 Å^3
• Polar Surface Area: 47.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true