CAS 1289385-03-0

1-(1,1-Dimethylethyl) 4-(6-chloro-4-pyrimidinyl)-1,3-piperazinedicarboxylate

Description:

1-(1,1-Dimethylethyl) 4-(6-chloro-4-pyrimidinyl)-1,3-piperazinedicarboxylate is a chemical compound characterized by its complex structure, which includes a piperazine ring substituted with both a dimethyl group and a chloro-pyrimidine moiety. This compound typically exhibits properties associated with piperazine derivatives, such as potential biological activity, making it of interest in medicinal chemistry. The presence of the chloro group may influence its reactivity and solubility, while the dimethyl group can enhance lipophilicity, affecting its pharmacokinetic profile. The diester functionality suggests that it may undergo hydrolysis, leading to the release of carboxylic acids, which could further participate in biological interactions. Its specific applications and efficacy would depend on the context of its use, particularly in drug development or as a research chemical. As with many synthetic compounds, safety data, including toxicity and environmental impact, should be considered when handling or studying this substance.

Formula: C₁₄H₁₉ClN₄O₄

InChI: InChI=1S/C14H19ClN4O4/c1-14(2,3)23-13(22)18-4-5-19(9(7-18)12(20)21)11-6-10(15)16-8-17-11/h6,8-9H,4-5,7H2,1-3H3,(H,20,21)

InChI key: InChIKey=LRBULWJVBGVUIL-UHFFFAOYSA-N

SMILES: C(O)(=O)C1N(CCN(C(OC(C)(C)C)=O)C1)C=2C=C(Cl)N=CN2

Synonyms:

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