CAS 1261230-04-9

1-(1,1-Dimethylethyl) 4-(4,6-dimethyl-2-pyrimidinyl)-1,3-piperazinedicarboxylate

Description:

1-(1,1-Dimethylethyl) 4-(4,6-dimethyl-2-pyrimidinyl)-1,3-piperazinedicarboxylate is a chemical compound characterized by its complex structure, which includes a piperazine ring substituted with carboxylate groups and a pyrimidine moiety. The presence of the tert-butyl group (1,1-dimethylethyl) contributes to its steric bulk, potentially influencing its reactivity and solubility. The compound is likely to exhibit properties typical of piperazine derivatives, such as potential biological activity, which may include interactions with various receptors or enzymes. Its pyrimidine component may also impart specific pharmacological properties, making it of interest in medicinal chemistry. The presence of multiple functional groups suggests that it could participate in various chemical reactions, including esterification or amidation. Additionally, the compound's solubility and stability in different solvents can vary, which is crucial for its application in research or pharmaceutical development. Overall, this compound represents a unique combination of structural features that may lead to diverse applications in chemical and biological contexts.

Formula: C₁₆H₂₄N₄O₄

InChI: InChI=1S/C16H24N4O4/c1-10-8-11(2)18-14(17-10)20-7-6-19(9-12(20)13(21)22)15(23)24-16(3,4)5/h8,12H,6-7,9H2,1-5H3,(H,21,22)

InChI key: InChIKey=DKLCBTIYSXAHCE-UHFFFAOYSA-N

SMILES: C(O)(=O)C1N(CCN(C(OC(C)(C)C)=O)C1)C=2N=C(C)C=C(C)N2

Synonyms:

• 1,3-Piperazinedicarboxylic acid, 4-(4,6-dimethyl-2-pyrimidinyl)-, 1-(1,1-dimethylethyl) ester
• 1-(1,1-Dimethylethyl) 4-(4,6-dimethyl-2-pyrimidinyl)-1,3-piperazinedicarboxylate