Cas no 116436-03-4 (6-ethoxypyrimidine-2,4-diamine)

6-Ethoxypyrimidine-2,4-diamine is a pyrimidine derivative characterized by its ethoxy substitution at the 6-position and amino groups at the 2- and 4-positions. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its structural features, including the electron-donating ethoxy group and reactive amino functionalities, make it valuable for constructing heterocyclic frameworks. The compound exhibits stability under standard conditions and demonstrates compatibility with a range of chemical transformations, such as nucleophilic substitutions and condensation reactions. Its purity and well-defined reactivity profile ensure consistent performance in synthetic applications, making it a reliable choice for research and industrial processes.
6-ethoxypyrimidine-2,4-diamine structure
116436-03-4 structure
Product Name:6-ethoxypyrimidine-2,4-diamine
CAS No:116436-03-4
MF:C6H10N4O
MW:154.169800281525
MDL:MFCD09031077
CID:63227
Update Time:2025-05-21

6-ethoxypyrimidine-2,4-diamine Chemical and Physical Properties

Names and Identifiers

    • 2,4-Diamino-6-ethoxypyrimidine
    • 6-ethoxypyrimidine-2,4-diamine
    • C6H10N4O
    • 2,4-Diamino-6-ethoxy-pyrimidin
    • 2,4-Pyrimidinediamine,6-ethoxy
    • 2,6-diamino-4-ethoxy-pyrimidine
    • 6-Aethoxy-pyrimidin-2,4-diyldiamin
    • 6-ethoxy-pyrimidine-2,4-diyldiamine
    • 2,4-Pyrimidinediamine,6-ethoxy-
    • NSC9305
    • PubChem21471
    • MMTAQMVXGXVICH-UHFFFAOYSA-N
    • 2,4-Pyrimidinediamine, 6-ethoxy-
    • RL00630
    • HP21318
    • HC210364
    • MDL: MFCD09031077
    • Inchi: 1S/C6H10N4O/c1-2-11-5-3-4(7)9-6(8)10-5/h3H,2H2,1H3,(H4,7,8,9,10)
    • InChI Key: MMTAQMVXGXVICH-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=C(N)N=C(N)N=1

Computed Properties

  • Exact Mass: 154.08500
  • Monoisotopic Mass: 154.085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • 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
  • Surface Charge: 0
  • Tautomer Count: 9
  • XLogP3: 0.2
  • Topological Polar Surface Area: 87

Experimental Properties

  • Density: 1.274
  • Boiling Point: 420.8 °C at 760 mmHg
  • Flash Point: 420.8 °C at 760 mmHg
  • Refractive Index: 1.615
  • PSA: 87.05000
  • LogP: 1.20210

6-ethoxypyrimidine-2,4-diamine Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

6-ethoxypyrimidine-2,4-diamine Pricemore >>

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Additional information on 6-ethoxypyrimidine-2,4-diamine

6-Ethoxypyrimidine-2,4-diamine (CAS 116436-03-4): A Versatile Chemical Intermediate for Pharmaceutical and Agrochemical Applications

6-Ethoxypyrimidine-2,4-diamine (CAS 116436-03-4) is a specialized pyrimidine derivative that has gained significant attention in recent years due to its versatile applications in pharmaceutical synthesis and agrochemical formulations. This white to off-white crystalline compound, with the molecular formula C6H10N4O, serves as a crucial building block for various biologically active molecules. The growing interest in pyrimidine derivatives in drug discovery has positioned this compound as a valuable intermediate in modern synthetic chemistry.

The structural features of 6-ethoxypyrimidine-2,4-diamine make it particularly interesting for medicinal chemistry applications. The presence of both amino groups at positions 2 and 4, along with the ethoxy substituent at position 6, creates multiple sites for further chemical modifications. Recent studies in heterocyclic compound synthesis have highlighted its potential as a precursor for antiviral and antimicrobial agents, especially in the development of novel nucleoside analogs that are currently being investigated for various therapeutic applications.

In the agrochemical sector, 6-ethoxypyrimidine-2,4-diamine has emerged as a key intermediate for the synthesis of modern crop protection agents. With the increasing global demand for sustainable agriculture solutions, researchers are exploring its use in developing new-generation pyrimidine-based pesticides that offer improved efficacy and environmental profiles. The compound's ability to serve as a core structure for various herbicidal and fungicidal molecules has made it particularly valuable in addressing current challenges in crop yield optimization and pest resistance management.

The synthesis of 6-ethoxypyrimidine-2,4-diamine typically involves multi-step processes starting from readily available pyrimidine precursors. Modern synthetic approaches focus on optimizing yield and purity while minimizing environmental impact, aligning with the principles of green chemistry. Recent advancements in catalytic amination and selective etherification techniques have significantly improved the production efficiency of this valuable intermediate.

From a physicochemical perspective, 6-ethoxypyrimidine-2,4-diamine demonstrates excellent stability under standard storage conditions, with a melting point typically ranging between 180-185°C. Its moderate solubility in polar organic solvents and limited water solubility make it particularly suitable for various organic synthesis applications. These properties, combined with its well-characterized reactivity profile, have contributed to its growing popularity in both academic and industrial research settings.

The pharmaceutical applications of 6-ethoxypyrimidine-2,4-diamine are particularly noteworthy in the context of current drug development trends. As the pharmaceutical industry continues to explore targeted therapies and personalized medicine approaches, this compound serves as a versatile scaffold for kinase inhibitors and other small molecule therapeutics. Its structural similarity to natural pyrimidine bases makes it especially valuable in the design of nucleic acid-targeting drugs, a rapidly expanding area of medicinal chemistry.

Quality control aspects of 6-ethoxypyrimidine-2,4-diamine production have become increasingly important, with analytical methods such as HPLC and LC-MS being routinely employed to ensure high purity standards. The compound's stability profile and well-defined spectroscopic characteristics (including distinctive 1H NMR and 13C NMR patterns) facilitate its identification and quality assessment throughout the supply chain.

Market trends indicate growing demand for 6-ethoxypyrimidine-2,4-diamine, particularly in regions with strong pharmaceutical and agrochemical manufacturing sectors. The compound's versatility as a chemical intermediate has led to increased investment in production capacity and process optimization. Recent patent literature reveals ongoing innovation in application areas, suggesting that the commercial importance of this pyrimidine derivative will likely continue to expand in coming years.

From a regulatory standpoint, 6-ethoxypyrimidine-2,4-diamine is generally recognized as safe for handling when proper precautions are observed. Material Safety Data Sheets (MSDS) provide comprehensive guidance on storage, handling, and disposal procedures. The compound's favorable toxicological profile, combined with its utility in multiple industries, positions it as a sustainable choice for various fine chemical applications.

Future research directions for 6-ethoxypyrimidine-2,4-diamine are expected to focus on expanding its application scope through innovative synthetic methodologies. Areas of particular interest include its potential use in metal-organic frameworks (MOFs) for catalytic applications and as a building block for advanced materials with specialized electronic properties. The continued exploration of its biological activities may also uncover new therapeutic possibilities in emerging areas of precision medicine.

In conclusion, 6-ethoxypyrimidine-2,4-diamine (CAS 116436-03-4) represents a highly versatile chemical intermediate with significant value across multiple industries. Its unique structural features and adaptable chemistry make it particularly valuable in addressing current challenges in pharmaceutical development and agricultural science. As research continues to uncover new applications for this compound, its role as a key building block in modern chemistry is likely to grow even more prominent in the years ahead.

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