structure of 5-Bromo-2-(piperazin-1-yl)pyrimidine

5-Bromo-2-(piperazin-1-yl)pyrimidine

CAS No.: 99931-82-5
M. Wt: 243.10400
M. Fa: C8H11BrN4
InChI Key: YHWLBBPOKRHVAR-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 5-Bromo-2-(piperazin-1-yl)pyrimidine

CAS Number

99931-82-5

EC Number

671-758-3

MDL Number

MFCD01314280

IUPAC Name

5-bromo-2-piperazin-1-ylpyrimidine

InChI

InChI=1S/C8H11BrN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2

InChIKey

YHWLBBPOKRHVAR-UHFFFAOYSA-N

Canonical SMILES

C1CN(CCN1)C2=NC=C(C=N2)Br

UNSPSC Code

12352100

Physical and chemical properties of 5-Bromo-2-(piperazin-1-yl)pyrimidine

Boiling Point

383.4ºC at 760 mmHg

Density

1.516 g/cm3

Exact Mass

242.01700

Flash Point

185.7ºC

LogP

1.04250

Melting Point

77ºC

Molecular Formula

C8H11BrN4

Molecular Weight

243.10400

PSA

41.05000

Storage condition

Room temperature.

Safety Information of 5-Bromo-2-(piperazin-1-yl)pyrimidine

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Interaction Studies of 5-Bromo-2-(piperazin-1-yl)pyrimidine

Studies on 5-Bromo-2-(piperazin-1-yl)pyrimidine have focused on its interaction with biological receptors:

  • α2-Adrenergic Receptor: The compound's antagonistic effect on this receptor has implications for understanding its role in modulating neurotransmitter systems.
  • 5-HT1A Receptor: Its partial agonist activity indicates potential effects on mood and anxiety disorders, warranting further investigation into its therapeutic applications.

Biological Activity of 5-Bromo-2-(piperazin-1-yl)pyrimidine

This compound exhibits significant biological activity, primarily through its interaction with specific receptors:

  • Receptor Interaction: It acts as an antagonist of the α2-adrenergic receptor, influencing neurotransmitter release and cellular responses to stress. Additionally, it shows partial agonist activity at the 5-HT1A receptor, which is involved in mood regulation.
  • Cellular Effects: By modulating cell signaling pathways and gene expression, 5-Bromo-2-(piperazin-1-yl)pyrimidine can impact various cellular functions, making it a candidate for therapeutic applications.

Physical sample testing spectrum (NMR) of 5-Bromo-2-(piperazin-1-yl)pyrimidine

Physical sample testing spectrum (NMR) of 5-Bromo-2-(piperazin-1-yl)pyrimidine

Retrosynthesis analysis of 5-Bromo-2-(piperazin-1-yl)pyrimidine

  • Route#1

    Cas:20980-22-7
    Cas:99931-82-5

  • Route#2

    Cas:494772-35-9
    Cas:99931-82-5

  • Route#3

    Cas:32779-36-5
    Cas:5308-25-8
    Cas:99931-82-5