Cas no 1896917-81-9 (5-Bromo-4-chloro-6-isopropylpyrimidin-2-amine)

5-Bromo-4-chloro-6-isopropylpyrimidin-2-amine is a halogenated pyrimidine derivative with a reactive bromo and chloro substituent, making it a versatile intermediate in organic synthesis and pharmaceutical development. The presence of both bromine and chlorine enhances its electrophilic properties, facilitating nucleophilic substitution reactions, while the isopropyl group contributes to steric and electronic modulation. This compound is particularly useful in the synthesis of heterocyclic compounds, agrochemicals, and bioactive molecules. Its well-defined structure and high purity ensure consistent reactivity, making it a reliable building block for researchers in medicinal chemistry and material science. The compound is typically handled under controlled conditions due to its halogenated nature.
5-Bromo-4-chloro-6-isopropylpyrimidin-2-amine structure
1896917-81-9 structure
Product Name:5-Bromo-4-chloro-6-isopropylpyrimidin-2-amine
CAS No:1896917-81-9
MF:C7H9BrClN3
MW:250.523459196091
CID:5056175
Update Time:2025-05-21

5-Bromo-4-chloro-6-isopropylpyrimidin-2-amine Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-4-chloro-6-isopropylpyrimidin-2-amine
    • 5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-amine
    • 5-Bromo-4-chloro-6-isopropylpyrimidin-2-amine
    • Inchi: 1S/C7H9BrClN3/c1-3(2)5-4(8)6(9)12-7(10)11-5/h3H,1-2H3,(H2,10,11,12)
    • InChI Key: SQIZDRLYOMHGOX-UHFFFAOYSA-N
    • SMILES: BrC1=C(N=C(N)N=C1C(C)C)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 156
  • XLogP3: 2.7
  • Topological Polar Surface Area: 51.8

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$ 210.00 2022-06-07
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Additional information on 5-Bromo-4-chloro-6-isopropylpyrimidin-2-amine

5-Bromo-4-chloro-6-isopropylpyrimidin-2-amine: A Comprehensive Overview

5-Bromo-4-chloro-6-isopropylpyrimidin-2-amine, also known by its CAS number 1896917-81-9, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound belongs to the class of pyrimidine derivatives, which are well-known for their diverse biological activities and applications in drug discovery. The structure of 5-Bromo-4-chloro-6-isopropylpyrimidin-2-amine features a pyrimidine ring with substituents at positions 2, 4, 5, and 6, making it a highly functionalized molecule with potential for further modification and exploration.

The synthesis of 5-Bromo-4-chloro-6-isopropylpyrimidin-2-amine typically involves multi-step organic reactions, including nucleophilic substitutions, reductions, and cyclizations. Recent advancements in synthetic methodologies have enabled the efficient construction of such complex structures with high yields and purity. Researchers have explored various strategies to optimize the synthesis process, including the use of microwave-assisted reactions and catalytic systems, which have significantly improved the overall efficiency and scalability of the synthesis.

In terms of biological activity, 5-Bromo-4-chloro-6-isopropylpyrimidin-2-amine has shown promising results in preliminary studies. It exhibits potent inhibitory effects against several enzymes implicated in various diseases, including cancer and inflammatory disorders. For instance, recent studies have demonstrated its ability to inhibit kinases involved in cell proliferation and survival pathways. These findings suggest that this compound could serve as a lead molecule for the development of novel therapeutic agents.

The structural versatility of 5-Bromo-4-chloro-6-isopropylpyrimidin-2-amino also makes it an attractive candidate for further functionalization. By modifying the substituents at different positions on the pyrimidine ring, researchers can explore a wide range of biological activities and optimize the compound's pharmacokinetic properties. For example, introducing electron-withdrawing groups or bulky substituents can enhance binding affinity to target proteins or improve metabolic stability.

Moreover, computational studies have played a pivotal role in understanding the molecular interactions of 5-Bromo-CAS No: 1896917819. Advanced molecular modeling techniques, such as docking simulations and molecular dynamics studies, have provided insights into how this compound interacts with its target proteins at the atomic level. These computational approaches have not only guided experimental efforts but also facilitated the design of more potent analogs with improved efficacy.

In conclusion, 5-Bromo-CAS No: 1896917819 represents a valuable addition to the arsenal of pyrimidine-based compounds with potential applications in drug discovery. Its unique structure, coupled with its promising biological activity profiles, positions it as a compelling candidate for further research and development. As ongoing studies continue to unravel its full potential, this compound is expected to contribute significantly to the advancement of medicinal chemistry and therapeutic development.

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