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CAS 849021-44-9

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1-(5-Bromo-2-pyrimidinyl)hexahydro-1H-1,4-diazepine

Description:
1-(5-Bromo-2-pyrimidinyl)hexahydro-1H-1,4-diazepine is a chemical compound characterized by its unique structure, which includes a hexahydro-1H-1,4-diazepine ring fused with a pyrimidine moiety that contains a bromine substituent. This compound typically exhibits properties associated with both heterocyclic and aliphatic compounds, including potential solubility in polar solvents due to the presence of nitrogen atoms in the diazepine ring. The bromine atom can influence the compound's reactivity and biological activity, often enhancing its interaction with biological targets. The presence of the pyrimidine ring suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as pyrimidines are known for their role in various biological processes. Additionally, the compound may exhibit specific pharmacological properties, making it of interest in drug discovery and development. Its molecular structure and substituents can also affect its stability, lipophilicity, and overall bioavailability, which are critical factors in evaluating its potential therapeutic uses.
Formula:C9H13BrN4
InChI:InChI=1S/C9H13BrN4/c10-8-6-12-9(13-7-8)14-4-1-2-11-3-5-14/h6-7,11H,1-5H2
InChI key:InChIKey=XKAYYTATJMNDJA-UHFFFAOYSA-N
SMILES:BrC=1C=NC(=NC1)N2CCCNCC2
Synonyms:
  • 1-(5-Bromo-2-pyrimidinyl)hexahydro-1H-1,4-diazepine
  • 1H-1,4-Diazepine, 1-(5-bromo-2-pyrimidinyl)hexahydro-
  • 1-(5-Bromopyrimidin-2-yl)-1,4-diazepane
  • 1-(5-Bromopyrimidin-2-yl)[1,4]diazepane
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