Cas no 6316-09-2 (6-Chloro-N~4~-ethylpyrimidine-2,4-diamine)

6-Chloro-N~4~-ethylpyrimidine-2,4-diamine structure
6316-09-2 structure
Product Name:6-Chloro-N~4~-ethylpyrimidine-2,4-diamine
CAS No:6316-09-2
MF:C6H9ClN4
MW:172.61545920372
MDL:MFCD00665927
CID:958955
Update Time:2025-04-23

6-Chloro-N~4~-ethylpyrimidine-2,4-diamine Chemical and Physical Properties

Names and Identifiers

    • pyrimidine, 2-amino-4-chloro-6-(ethylamino)-
    • 2-amino-4-ethylamino-6-chloropyrimidine
    • 2'-deoxy-N4-ethyl-cytidine
    • 6-chloro-N4-ethyl-2,4-pyrimidinediamine
    • 6-chloro-N4-ethylpyrimidine-2,4-diamine
    • AG-G-75100
    • CTK5D2459
    • Cytidine,2'-deoxy-N-ethyl-
    • N(4)-ethyl-dC
    • N4-Aethyl-6-chlor-pyrimidin-2,4-diyldiamin
    • N4-ethyl-2'-deoxy-cytidine
    • N4-ETHYL-2'-DEOXYCYTIDINE
    • N4-ethyl-6-chloro-pyrimidine-2,4-diyldiamine
    • N4-Ethyldeoxycytidin
    • SureCN531871
    • 6-Chloro-N~4~-ethylpyrimidine-2,4-diamine
    • MDL: MFCD00665927
    • Inchi: 1S/C6H9ClN4/c1-2-9-5-3-4(7)10-6(8)11-5/h3H,2H2,1H3,(H3,8,9,10,11)
    • InChI Key: BVMACTVHXCMJBD-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=NC(N)=N1)NCC

Computed Properties

  • Exact Mass: 172.05177
  • Monoisotopic Mass: 172.052
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 121
  • 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

Experimental Properties

  • Density: 1.46
  • Boiling Point: 508.5°C at 760 mmHg
  • Flash Point: 261.3°C
  • Refractive Index: 1.664
  • PSA: 63.83

6-Chloro-N~4~-ethylpyrimidine-2,4-diamine Pricemore >>

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Additional information on 6-Chloro-N~4~-ethylpyrimidine-2,4-diamine

Pyrimidine, 2-Amino-4-Chloro-6-(Ethylamino) - CAS No. 6316-09-2

The compound pyrimidine, 2-amino-4-chloro-6-(ethylamino), with the CAS registry number 6316-09-2, is a significant molecule in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of pyrimidines, which are aromatic heterocycles with a six-membered ring containing two nitrogen atoms at positions 1 and 3. The presence of amino and ethylamino groups at positions 2 and 6, respectively, along with a chlorine atom at position 4, imparts unique chemical properties and reactivity to this molecule.

Pyrimidine derivatives have been extensively studied due to their diverse applications in drug discovery, materials science, and as intermediates in organic synthesis. The 2-amino-4-chloro-6-(ethylamino) substitution pattern on the pyrimidine ring makes this compound particularly interesting for its potential as a building block in medicinal chemistry. Recent studies have highlighted its role in the development of anti-cancer agents, where its ability to modulate specific protein kinases has shown promising results.

The synthesis of pyrimidine, 2-amino-4-chloro-6-(ethylamino) involves a multi-step process that typically begins with the preparation of a pyrimidine core. This is followed by selective substitution reactions to introduce the amino and ethylamino groups at the desired positions. The reaction conditions are carefully optimized to ensure high yields and selectivity. For instance, the use of microwave-assisted synthesis has been reported to significantly accelerate the formation of this compound while maintaining its purity.

One of the most notable applications of this compound is in the field of drug design. Its structure serves as a template for designing molecules that can inhibit key enzymes or receptors involved in various diseases. For example, recent research has demonstrated that derivatives of pyrimidine, 2-amino-4-chloro-6-(ethylamino) can act as potent inhibitors of cyclin-dependent kinases (CDKs), which are critical regulators of cell cycle progression. This makes them potential candidates for anti-cancer therapies.

In addition to its role in medicinal chemistry, pyrimidine, 2-amino-4-chloro-6-(ethylamino) has also found applications in materials science. Its ability to form stable coordination complexes with metal ions has led to its use in the development of new materials for catalysis and sensing applications. For instance, researchers have reported the use of this compound as a ligand in constructing metalloporphyrin-based sensors for detecting heavy metal ions in environmental samples.

The latest advancements in computational chemistry have further enhanced our understanding of the properties of pyrimidine, 2-amino-4-chloro-6-(ethylamino). By employing density functional theory (DFT) calculations, scientists have been able to predict its electronic structure and reactivity under various conditions. These insights have paved the way for more efficient synthetic strategies and novel applications.

In conclusion, pyrimidine, 2-amino-4-chloro-6-(ethylamino) is a versatile compound with a wide range of applications across different scientific disciplines. Its unique chemical structure and reactivity make it an invaluable tool in both academic research and industrial development. As ongoing research continues to uncover new potentials for this molecule, it is expected to play an even more significant role in advancing modern science and technology.

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