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CAS 87789-48-8

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2-[4-(4-Bromobutyl)-1-piperazinyl]pyrimidine

Description:
2-[4-(4-Bromobutyl)-1-piperazinyl]pyrimidine, with the CAS number 87789-48-8, is a chemical compound characterized by its pyrimidine core substituted with a piperazine moiety. This compound features a bromobutyl group, which enhances its lipophilicity and may influence its biological activity. The presence of the piperazine ring suggests potential interactions with various biological targets, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. The compound is likely to exhibit moderate to high solubility in organic solvents due to its structural features, while its polar functional groups may confer some degree of solubility in aqueous environments. Additionally, the bromine atom can participate in halogen bonding, potentially affecting the compound's reactivity and interactions with other molecules. Overall, 2-[4-(4-Bromobutyl)-1-piperazinyl]pyrimidine is a versatile compound with potential applications in drug discovery and development, particularly in areas targeting neurological or psychiatric disorders.
Formula:C12H19BrN4
InChI:InChI=1S/C12H19BrN4/c13-4-1-2-7-16-8-10-17(11-9-16)12-14-5-3-6-15-12/h3,5-6H,1-2,4,7-11H2
InChI key:InChIKey=PSBMPSNKIDFXIK-UHFFFAOYSA-N
SMILES:C(CCCBr)N1CCN(CC1)C=2N=CC=CN2
Synonyms:
  • Pyrimidine, 2-[4-(4-bromobutyl)-1-piperazinyl]-
  • 2-[4-(4-Bromobutyl)-1-piperazinyl]pyrimidine
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