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CAS 1353989-90-8

:

1,1-Dimethylethyl 4-[6-ethoxy-2-(methylthio)-4-pyrimidinyl]-1-piperazinecarboxylate

Description:
1,1-Dimethylethyl 4-[6-ethoxy-2-(methylthio)-4-pyrimidinyl]-1-piperazinecarboxylate, with the CAS number 1353989-90-8, is a chemical compound that belongs to the class of piperazine derivatives. This substance features a piperazine ring, which is a six-membered heterocyclic structure containing two nitrogen atoms. The compound is characterized by the presence of a dimethyl group, which contributes to its steric properties, and an ethoxy group that enhances its solubility in organic solvents. The pyrimidine moiety, substituted with a methylthio group, suggests potential biological activity, possibly related to its interaction with biological targets. The overall structure indicates that it may exhibit pharmacological properties, making it of interest in medicinal chemistry. Its synthesis and characterization would typically involve standard organic reactions, and its stability, solubility, and reactivity would be influenced by the functional groups present. Safety and handling considerations would be essential due to the potential biological activity and the presence of sulfur and nitrogen in its structure.
Formula:C16H26N4O3S
InChI:InChI=1S/C16H26N4O3S/c1-6-22-13-11-12(17-14(18-13)24-5)19-7-9-20(10-8-19)15(21)23-16(2,3)4/h11H,6-10H2,1-5H3
InChI key:InChIKey=BUJYIOUNPVQVCF-UHFFFAOYSA-N
SMILES:O(CC)C1=CC(=NC(SC)=N1)N2CCN(C(OC(C)(C)C)=O)CC2
Synonyms:
  • 1,1-Dimethylethyl 4-[6-ethoxy-2-(methylthio)-4-pyrimidinyl]-1-piperazinecarboxylate
  • 1-Piperazinecarboxylic acid, 4-[6-ethoxy-2-(methylthio)-4-pyrimidinyl]-, 1,1-dimethylethyl ester
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