CAS 1261229-73-5

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

Description:

1-(1,1-Dimethylethyl) 4-[2-(methylthio)-4-pyrimidinyl]-1,3-piperazinedicarboxylate is a chemical compound characterized by its complex structure, which includes a piperazine ring and a pyrimidine moiety. The presence of the 1,1-dimethylethyl group contributes to its steric bulk, potentially influencing its biological activity and solubility. The methylthio group attached to the pyrimidine ring may enhance its lipophilicity and affect its interaction with biological targets. This compound is likely to exhibit specific pharmacological properties, making it of interest in medicinal chemistry. Its molecular structure suggests potential applications in drug development, particularly in areas targeting specific receptors or enzymes. The presence of two carboxylate groups indicates that it may participate in various chemical reactions, including esterification or salt formation. Overall, the unique combination of functional groups and structural features positions this compound as a candidate for further research in pharmaceutical applications.

Formula: C₁₅H₂₂N₄O₄S

InChI: InChI=1S/C15H22N4O4S/c1-15(2,3)23-14(22)18-7-8-19(10(9-18)12(20)21)11-5-6-16-13(17-11)24-4/h5-6,10H,7-9H2,1-4H3,(H,20,21)

InChI key: InChIKey=MWXNLCZXFUJQRX-UHFFFAOYSA-N

SMILES: C(O)(=O)C1N(CCN(C(OC(C)(C)C)=O)C1)C2=NC(SC)=NC=C2

Synonyms:

• 1-(1,1-Dimethylethyl) 4-[2-(methylthio)-4-pyrimidinyl]-1,3-piperazinedicarboxylate
• 1,3-Piperazinedicarboxylic acid, 4-[2-(methylthio)-4-pyrimidinyl]-, 1-(1,1-dimethylethyl) ester