imidazo[1,2-c]pyrimidine-2-carboxylic acid

• ChemBase ID: 90967
• Molecular Formular: C7H5N3O2
• Molecular Mass: 163.1335
• Monoisotopic Mass: 163.03817642
• SMILES: n1c2n(cncc2)cc1C(=O)O
• Canonical SMILES: OC(=O)c1cn2c(n1)ccnc2
• InChI: InChI=1S/C7H5N3O2/c11-7(12)5-3-10-4-8-2-1-6(10)9-5/h1-4H,(H,11,12)
• InChIKey: FUCMHLJTAARKKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-c]pyrimidine-2-carboxylic acid
• IUPAC Traditional name: imidazo[1,2-c]pyrimidine-2-carboxylic acid
• Synonyms: Imidazo[1,2-c]pyrimidine-2-carboxylic acid 97%

Database IDs

• CAS Number: 914637-64-2
• MDL Number: MFCD08235231
• PubChem SID: 162077671
• PubChem CID: 26967334

CALCULATED PROPERTIES

• Acid pKa: 2.4781919
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3099346
• LogD (pH = 7.4): -3.717995
• Log P: -1.5991836
• Molar Refractivity: 41.0166 cm^3
• Polarizability: 14.827589 Å^3
• Polar Surface Area: 67.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant