Cas no 1379352-61-0 (5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine)

5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine is a halogenated pyrimidine derivative featuring a bromo substituent at the 5-position and a trifluoromethyl group at the 2-position. This compound serves as a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients. The presence of both bromine and trifluoromethyl groups enhances its reactivity, enabling selective functionalization for further derivatization. Its stable pyrimidine core and electron-withdrawing substituents make it valuable for constructing heterocyclic frameworks with potential biological activity. The compound is typically handled under controlled conditions due to its sensitivity to moisture and light. Its purity and structural specificity ensure consistent performance in cross-coupling and nucleophilic substitution reactions.
5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine structure
1379352-61-0 structure
Product Name:5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine
CAS No:1379352-61-0
MF:C5H3BrF3N3
MW:241.996629953384
MDL:MFCD11043793
CID:1089052
PubChem ID:71721371
Update Time:2025-05-19

5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine
    • CS-0309826
    • P19405
    • MFCD11043793
    • 5-Bromo-2-(trifluoromethyl)-4-pyrimidinamine
    • DTXSID60856969
    • AS-79452
    • DZWBVYLQAPRBOZ-UHFFFAOYSA-N
    • 4-Amino-5-bromo-2-(trifluoromethyl)pyrimidine
    • 4-Pyrimidinamine, 5-bromo-2-(trifluoromethyl)-
    • 1379352-61-0
    • DB-382060
    • SCHEMBL23674888
    • SB60118
    • SY248842
    • MDL: MFCD11043793
    • Inchi: 1S/C5H3BrF3N3/c6-2-1-11-4(5(7,8)9)12-3(2)10/h1H,(H2,10,11,12)
    • InChI Key: DZWBVYLQAPRBOZ-UHFFFAOYSA-N
    • SMILES: BrC1C=NC(C(F)(F)F)=NC=1N

Computed Properties

  • Exact Mass: 240.94624g/mol
  • Monoisotopic Mass: 240.94624g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 163
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 51.8?2

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Additional information on 5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine

5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine: A Comprehensive Overview

The compound 5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine (CAS No. 1379352-61-0) is a highly specialized organic compound with significant applications in various fields of chemistry and materials science. This compound, characterized by its unique pyrimidine ring structure, has garnered attention due to its potential in drug discovery, electronic materials, and advanced chemical synthesis. The pyrimidine ring serves as a versatile scaffold for functionalization, enabling the incorporation of diverse substituents that enhance its reactivity and applicability.

Recent studies have highlighted the importance of 5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine in the development of novel pharmaceutical agents. Researchers have explored its role as a precursor in the synthesis of bioactive molecules, particularly in the context of kinase inhibitors and other enzyme-targeting compounds. The presence of a bromo group at the 5-position and a trifluoromethyl group at the 2-position introduces unique electronic and steric properties, making it an ideal candidate for further functionalization. These substituents not only enhance the compound's stability but also facilitate selective reactivity in complex chemical transformations.

In the realm of materials science, 5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine has been investigated for its potential in organic electronics. Its ability to form stable coordination complexes with metal ions has led to its consideration in the development of advanced materials for optoelectronic devices. Recent breakthroughs in this area have demonstrated that derivatives of this compound can exhibit desirable electronic properties, such as high charge carrier mobility and excellent thermal stability, which are critical for next-generation electronic applications.

The synthesis of 5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine involves a multi-step process that combines traditional organic synthesis techniques with modern catalytic methods. Key steps include the formation of the pyrimidine ring through condensation reactions, followed by precise substitution at specific positions to introduce the bromo and trifluoromethyl groups. The optimization of reaction conditions has been a focal point for researchers aiming to improve yield and purity, ensuring that this compound can be produced on a larger scale for industrial applications.

One of the most promising areas of research involving 5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine is its application in drug delivery systems. Scientists have explored its ability to act as a carrier for therapeutic agents, leveraging its structural flexibility to design targeted drug delivery vehicles. The compound's ability to form self-assembled structures under specific conditions has opened new avenues for nanotechnology-based drug delivery systems, which are increasingly sought after in modern medicine.

Furthermore, recent advancements in computational chemistry have enabled researchers to perform detailed molecular modeling studies on 5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine. These studies have provided insights into its electronic structure, reactivity profiles, and potential interactions with biological systems. Such computational approaches are instrumental in guiding experimental efforts and accelerating the discovery of new applications for this compound.

In conclusion, 5-Bromo-2-(trifluoromethyl)pyrimidin-4-amine (CAS No. 1379352610) stands as a testament to the ingenuity and precision of modern chemical synthesis. Its unique structural features and versatile reactivity make it a valuable tool across multiple disciplines. As research continues to uncover new applications and optimize existing ones, this compound is poised to play an increasingly important role in advancing both scientific knowledge and practical innovations.

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