CAS 1041054-20-9

1,1-Dimethylethyl 4-(2-amino-4-pyrimidinyl)-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl 4-(2-amino-4-pyrimidinyl)-1-piperazinecarboxylate is a chemical compound characterized by its complex structure, which includes a piperazine ring and a pyrimidine moiety. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its biological activity and solubility. The presence of an amino group on the pyrimidine ring suggests potential for hydrogen bonding and interactions with biological targets, making it of interest in medicinal chemistry. The carboxylate functional group indicates that the compound may exhibit acidic properties, which can affect its reactivity and interaction with other molecules. Additionally, the piperazine ring is known for its role in various pharmacological activities, often serving as a scaffold in drug design. Overall, this compound's unique structural features may confer specific pharmacokinetic and pharmacodynamic properties, making it a candidate for further investigation in therapeutic applications.

Formula: C₁₃H₂₁N₅O₂

InChI: InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)10-4-5-15-11(14)16-10/h4-5H,6-9H2,1-3H3,(H2,14,15,16)

InChI key: InChIKey=IQDWTLZCXHUGAQ-UHFFFAOYSA-N

SMILES: NC=1N=C(N2CCN(C(OC(C)(C)C)=O)CC2)C=CN1

Synonyms:

• tert-Butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate
• 1-Piperazinecarboxylic acid, 4-(2-amino-4-pyrimidinyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-(2-amino-4-pyrimidinyl)-1-piperazinecarboxylate