CAS 1261235-41-9

1,1-Dimethylethyl 4-[[[2-(methylthio)-4-pyrimidinyl]oxy]methyl]-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-[[[2-(methylthio)-4-pyrimidinyl]oxy]methyl]-1-piperidinecarboxylate, identified by its CAS number 1261235-41-9, is a chemical compound characterized by its complex structure, which includes a piperidine ring, a pyrimidine moiety, and a tert-butyl group. This compound typically exhibits properties associated with both lipophilicity and polar functionality due to the presence of the methylthio and ether groups. It is likely to be a solid at room temperature, with potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The presence of the piperidine and pyrimidine structures suggests potential biological activity, possibly as an inhibitor or modulator in various biochemical pathways. Additionally, the compound's stability and reactivity can be influenced by the functional groups attached to the core structure, making it a candidate for further investigation in drug design and synthesis. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₆H₂₅N₃O₃S

InChI: InChI=1S/C16H25N3O3S/c1-16(2,3)22-15(20)19-9-6-12(7-10-19)11-21-13-5-8-17-14(18-13)23-4/h5,8,12H,6-7,9-11H2,1-4H3

InChI key: InChIKey=UCLWQFMLEJHSIE-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CCC(COC2=NC(SC)=NC=C2)CC1

Synonyms:

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