Cas no 89580-84-7 (6-chloro-N4-ethylpyrimidine-2,4,5-triamine)

6-Chloro-N4-ethylpyrimidine-2,4,5-triamine is a heterocyclic organic compound featuring a pyrimidine core substituted with chloro, ethylamino, and amino functional groups. This structure imparts reactivity suitable for further derivatization, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of multiple reactive sites allows for selective modifications, enabling the development of targeted bioactive molecules. Its stability under standard conditions ensures consistent handling and storage. The compound’s purity and well-defined chemical properties support its use in research and industrial applications, particularly in the synthesis of specialized fine chemicals. Its versatility underscores its importance in advanced synthetic chemistry.
6-chloro-N4-ethylpyrimidine-2,4,5-triamine structure
89580-84-7 structure
Product Name:6-chloro-N4-ethylpyrimidine-2,4,5-triamine
CAS No:89580-84-7
MF:C6H10ClN5
MW:187.630098819733
CID:993792
PubChem ID:229863
Update Time:2025-10-28

6-chloro-N4-ethylpyrimidine-2,4,5-triamine Chemical and Physical Properties

Names and Identifiers

    • 6-chloro-4-N-ethylpyrimidine-2,4,5-triamine
    •  
    • 6-chloro-N4-ethylpyrimidine-2,4,5-triamine
    • NSC-23907
    • DTXSID90282030
    • NSC23907
    • EN300-1653400
    • 89580-84-7
    • SCHEMBL13539690
    • 6-Chloro-N~4~-ethylpyrimidine-2,4,5-triamine
    • Inchi: 1S/C6H10ClN5/c1-2-10-5-3(8)4(7)11-6(9)12-5/h2,8H2,1H3,(H3,9,10,11,12)
    • InChI Key: GJSBTOJJIMFVED-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=NC(N)=N1)NCC)N

Computed Properties

  • Exact Mass: 187.0624730g/mol
  • Monoisotopic Mass: 187.0624730g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 144
  • 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: 0.8
  • Topological Polar Surface Area: 89.8?2

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Additional information on 6-chloro-N4-ethylpyrimidine-2,4,5-triamine

6-Chloro-N4-Ethylpyrimidine-2,4,5-Triamine: A Comprehensive Overview

6-Chloro-N4-Ethylpyrimidine-2,4,5-Triamine (CAS No. 89580-84-7) 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 molecule features a pyrimidine ring system with chlorine and ethyl substituents, making it a unique structure with potential for further functionalization and exploration.

The synthesis of 6-chloro-N4-ethylpyrimidine-2,4,5-triamine involves a series of well-established organic reactions. Recent advancements in synthetic methodologies have enabled the efficient preparation of this compound with high purity and yield. Researchers have explored various routes, including nucleophilic substitution and condensation reactions, to optimize the synthesis process. These efforts have not only improved the scalability of the synthesis but also opened avenues for exploring analogous compounds with similar structural features.

One of the most promising aspects of 6-chloro-N4-ethylpyrimidine-2,4,5-triamine is its potential as a lead compound in drug development. Pyrimidine derivatives are known to exhibit a wide range of biological activities, including antitumor, antiviral, and anti-inflammatory properties. Recent studies have focused on evaluating the pharmacological profile of this compound in various biological systems. For instance, in vitro assays have demonstrated its ability to inhibit key enzymes involved in cellular signaling pathways, suggesting its potential as a therapeutic agent.

The structural versatility of 6-chloro-N4-ethylpyrimidine-2,4,5-triamine allows for further modification to enhance its bioactivity and pharmacokinetic properties. Scientists have explored substituent effects on the pyrimidine ring to optimize binding affinity and selectivity for specific molecular targets. These studies have provided valuable insights into the structure-activity relationships (SAR) of this compound class, paving the way for the design of more potent and selective derivatives.

In addition to its pharmacological applications, 6-chloro-N4-ethylpyrimidine-2,4,5-triamine has shown promise in materials science. Its unique electronic properties make it a candidate for applications in organic electronics and optoelectronics. Researchers have investigated its ability to form self-assembled monolayers and its potential as a building block for advanced materials with tailored functionalities.

The growing interest in 6-chloro-N4-ethylpyrimidine-2,4,5-triamine is reflected in the increasing number of scientific publications dedicated to its study. Collaborative efforts between academic institutions and pharmaceutical companies have accelerated research into its therapeutic potential. Moreover, advancements in computational chemistry have enabled researchers to predict the compound's behavior in complex biological systems with greater accuracy.

In conclusion, 6-chloro-N4-ethylpyrimidine-2,4,5-triamine (CAS No. 89580-84-7) is a multifaceted compound with significant potential across various scientific disciplines. Its unique structure, coupled with recent advancements in synthesis and characterization techniques, positions it as a valuable tool for both basic research and applied development. As research continues to uncover new applications and insights into this compound's properties, its role in advancing science and technology is likely to expand further.

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