CAS 1353988-25-6

1,1-Dimethylethyl 3-[[(2-chloro-4-pyrimidinyl)thio]methyl]-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 3-[[(2-chloro-4-pyrimidinyl)thio]methyl]-1-piperidinecarboxylate, identified by its CAS number 1353988-25-6, is a chemical compound that features a complex structure incorporating a piperidine ring, a pyrimidine moiety, and a thioether linkage. This compound is characterized by its potential biological activity, particularly in medicinal chemistry, where it may serve as a lead compound for the development of pharmaceuticals. The presence of the chloro group on the pyrimidine ring can influence its reactivity and interaction with biological targets. Additionally, the dimethyl groups contribute to steric hindrance, which may affect the compound's binding affinity and selectivity. The carboxylate functional group is significant for solubility and reactivity, making it a versatile candidate for further chemical modifications. Overall, this compound's unique structural features suggest potential applications in drug discovery, particularly in targeting specific biological pathways or receptors. However, detailed studies on its pharmacological properties and safety profile would be necessary to fully understand its utility in therapeutic contexts.

Formula: C₁₅H₂₂ClN₃O₂S

InChI: InChI=1S/C15H22ClN3O2S/c1-15(2,3)21-14(20)19-8-4-5-11(9-19)10-22-12-6-7-17-13(16)18-12/h6-7,11H,4-5,8-10H2,1-3H3

InChI key: InChIKey=JJLSOQHMHHRVFF-UHFFFAOYSA-N

SMILES: C(SC1=NC(Cl)=NC=C1)C2CN(C(OC(C)(C)C)=O)CCC2

Synonyms:

• 1,1-Dimethylethyl 3-[[(2-chloro-4-pyrimidinyl)thio]methyl]-1-piperidinecarboxylate
• 1-Piperidinecarboxylic acid, 3-[[(2-chloro-4-pyrimidinyl)thio]methyl]-, 1,1-dimethylethyl ester