CAS 1261231-63-3

1,1-Dimethylethyl 3-[[2-(methylthio)-4-pyrimidinyl]amino]-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 3-[[2-(methylthio)-4-pyrimidinyl]amino]-1-piperidinecarboxylate, identified by its CAS number 1261231-63-3, is a chemical compound that features a complex structure incorporating a piperidine ring, a pyrimidine moiety, and a tert-butyl group. This compound is characterized by its potential biological activity, often explored in pharmaceutical research for its role as a drug candidate or intermediate. The presence of the methylthio group suggests possible interactions with biological targets, enhancing its lipophilicity and potentially influencing its pharmacokinetic properties. The piperidine ring contributes to the compound's basicity and can participate in hydrogen bonding, which is crucial for its interaction with biological macromolecules. Additionally, the carboxylate functional group may play a role in solubility and reactivity. Overall, this compound's unique structural features make it of interest in medicinal chemistry, particularly in the development of therapeutics targeting specific biological pathways.

Formula: C₁₅H₂₄N₄O₂S

InChI: InChI=1S/C15H24N4O2S/c1-15(2,3)21-14(20)19-9-5-6-11(10-19)17-12-7-8-16-13(18-12)22-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,17,18)

InChI key: InChIKey=OVMMVKZTEOEFIN-UHFFFAOYSA-N

SMILES: N(C1CN(C(OC(C)(C)C)=O)CCC1)C2=NC(SC)=NC=C2

Synonyms:

• 1,1-Dimethylethyl 3-[[2-(methylthio)-4-pyrimidinyl]amino]-1-piperidinecarboxylate
• 1-Piperidinecarboxylic acid, 3-[[2-(methylthio)-4-pyrimidinyl]amino]-, 1,1-dimethylethyl ester