CAS 933686-70-5

6-(Hexahydro-1H-azepin-1-yl)-4-pyrimidinecarboxylic acid

Description:

6-(Hexahydro-1H-azepin-1-yl)-4-pyrimidinecarboxylic acid, with the CAS number 933686-70-5, is a chemical compound characterized by its unique structure that combines a pyrimidine ring with a hexahydroazepine moiety. This compound typically exhibits properties associated with both heterocyclic compounds and carboxylic acids, such as potential solubility in polar solvents and the ability to form hydrogen bonds due to the presence of the carboxylic acid functional group. The hexahydroazepine ring contributes to its cyclic structure, which may influence its biological activity and interaction with various receptors or enzymes. Additionally, the presence of nitrogen atoms in both the azepine and pyrimidine rings may impart basic characteristics, allowing for protonation under certain conditions. This compound may be of interest in medicinal chemistry for its potential pharmacological applications, particularly in the development of novel therapeutic agents. However, specific physical and chemical properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization.

Formula: C₁₁H₁₅N₃O₂

InChI: InChI=1S/C11H15N3O2/c15-11(16)9-7-10(13-8-12-9)14-5-3-1-2-4-6-14/h7-8H,1-6H2,(H,15,16)

InChI key: InChIKey=ROUWNOLBIHAIGT-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=CC(=NC=N1)N2CCCCCC2

Synonyms:

• 6-(Hexahydro-1H-azepin-1-yl)-4-pyrimidinecarboxylic acid
• 4-Pyrimidinecarboxylic acid, 6-(hexahydro-1H-azepin-1-yl)-