CAS 1261231-27-9

1,1-Dimethylethyl 4-[6-chloro-2-(methylthio)-4-pyrimidinyl]-3-methyl-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl 4-[6-chloro-2-(methylthio)-4-pyrimidinyl]-3-methyl-1-piperazinecarboxylate, identified by its CAS number 1261231-27-9, is a chemical compound characterized by its complex structure, which includes a piperazine ring and a pyrimidine moiety. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its biological activity and solubility. The presence of a chloro substituent and a methylthio group on the pyrimidine ring suggests that it may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry. The ester functional group in the piperazinecarboxylate portion may also play a role in its reactivity and pharmacokinetic properties. Overall, this compound's unique structural features may confer specific properties that could be explored for therapeutic applications, particularly in the context of drug design and development. Further studies would be necessary to elucidate its full chemical behavior and potential uses.

Formula: C₁₅H₂₃ClN₄O₂S

InChI: InChI=1S/C15H23ClN4O2S/c1-10-9-19(14(21)22-15(2,3)4)6-7-20(10)12-8-11(16)17-13(18-12)23-5/h8,10H,6-7,9H2,1-5H3

InChI key: InChIKey=NGSHCKDAFOMUGZ-UHFFFAOYSA-N

SMILES: CC1N(C2=NC(SC)=NC(Cl)=C2)CCN(C(OC(C)(C)C)=O)C1

Synonyms:

• 1,1-Dimethylethyl 4-[6-chloro-2-(methylthio)-4-pyrimidinyl]-3-methyl-1-piperazinecarboxylate
• 1-Piperazinecarboxylic acid, 4-[6-chloro-2-(methylthio)-4-pyrimidinyl]-3-methyl-, 1,1-dimethylethyl ester