Cas no 41740-15-2 (1,3-Diethyl-6-aminouracil)

1,3-Diethyl-6-aminouracil is a substituted uracil derivative with a molecular formula of C?H??N?O?. This compound features an amino group at the 6-position and ethyl substituents at the 1- and 3-positions, enhancing its reactivity and utility in organic synthesis. It serves as a versatile intermediate in the preparation of pharmaceuticals, agrochemicals, and heterocyclic compounds. The ethyl groups improve solubility in organic solvents, facilitating its use in nucleophilic substitution and condensation reactions. Its structural properties make it valuable for developing biologically active molecules, particularly in medicinal chemistry research. The compound is characterized by its stability under standard conditions and consistent purity, ensuring reliable performance in synthetic applications.
1,3-Diethyl-6-aminouracil structure
1,3-Diethyl-6-aminouracil structure
Product Name:1,3-Diethyl-6-aminouracil
CAS No:41740-15-2
MF:C8H13N3O2
MW:183.207721471786
MDL:MFCD00086294
CID:825831
PubChem ID:603026
Update Time:2025-11-02

1,3-Diethyl-6-aminouracil Chemical and Physical Properties

Names and Identifiers

    • 6-Amino-1,3-diethylpyrimidine-2,4(1H,3H)-dione
    • 1,3-Diethyl-6-aminouracil
    • 6-Amino-1,3-diethyl-2,4(1H,3H)-pyrimidinedione
    • 6-amino-1,3-diethylpyrimidine-2,4-dione
    • AS-0055
    • ALBB-034667
    • SB56057
    • SCHEMBL2329963
    • 41740-15-2
    • MFCD00086294
    • Uracil, 6-amino-1,3-diethyl-
    • CS-0360948
    • 6-amino-1,3-diethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
    • 6-Amino-1,3-diethyl-2,4(1H,3H)-pyrimidinedione #
    • 6-amino-1,3-diethyluracil
    • DTXSID90345255
    • AKOS002675823
    • DB-115980
    • W-202718
    • MDL: MFCD00086294
    • Inchi: 1S/C8H13N3O2/c1-3-10-6(9)5-7(12)11(4-2)8(10)13/h5H,3-4,9H2,1-2H3
    • InChI Key: WPEWOBMDJKQYJK-UHFFFAOYSA-N
    • SMILES: O=C1N(C(C=C(N)N1CC)=O)CC

Computed Properties

  • Exact Mass: 183.10100
  • Monoisotopic Mass: 183.100776666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 273
  • 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: -0.3
  • Topological Polar Surface Area: 66.6?2

Experimental Properties

  • Melting Point: 178-179°C
  • PSA: 70.02000
  • LogP: 0.21320

1,3-Diethyl-6-aminouracil Security Information

  • HazardClass:IRRITANT
  • Storage Condition:Sealed in dry,2-8°C(BD54046)

1,3-Diethyl-6-aminouracil 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%

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Additional information on 1,3-Diethyl-6-aminouracil

1,3-Diethyl-6-aminouracil (CAS No. 41740-15-2): A Comprehensive Overview of Properties and Applications

1,3-Diethyl-6-aminouracil (CAS No. 41740-15-2) is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This compound, belonging to the uracil derivative family, exhibits unique chemical properties that make it valuable in various scientific applications. With the increasing demand for heterocyclic compounds in drug discovery, 1,3-Diethyl-6-aminouracil stands out due to its structural versatility and potential biological activity.

The molecular structure of 1,3-Diethyl-6-aminouracil features a uracil core substituted with ethyl groups at the 1 and 3 positions and an amino group at the 6 position. This configuration enhances its reactivity and solubility in organic solvents, making it a preferred intermediate in synthetic chemistry. Researchers often explore its role in the development of nucleoside analogs, which are crucial for antiviral and anticancer drug design. The compound's CAS number 41740-15-2 is frequently searched in scientific databases, reflecting its relevance in modern research.

One of the most discussed applications of 1,3-Diethyl-6-aminouracil is its potential use in medicinal chemistry. Recent studies highlight its incorporation into novel therapeutic agents targeting enzyme inhibition. For instance, its structural similarity to natural pyrimidines allows it to interact with biological systems, making it a candidate for drug development. This aligns with the growing interest in small molecule therapeutics, a hot topic in pharmaceutical innovation.

Beyond pharmaceuticals, 1,3-Diethyl-6-aminouracil finds utility in biochemical research. Its ability to participate in hydrogen bonding and π-stacking interactions makes it a valuable tool for studying nucleic acid interactions. Scientists investigating RNA and DNA binding mechanisms often employ this compound to probe molecular recognition processes. Such applications are particularly relevant in the era of precision medicine, where understanding molecular interactions is paramount.

The synthesis of 1,3-Diethyl-6-aminouracil typically involves multi-step organic reactions, including alkylation and amination processes. Researchers optimize these methods to achieve high yields and purity, ensuring the compound's suitability for advanced applications. The demand for high-purity uracil derivatives has surged, driven by the need for reliable reagents in high-throughput screening and combinatorial chemistry.

In the context of market trends, 1,3-Diethyl-6-aminouracil is increasingly sought after by contract research organizations (CROs) and academic labs. Its role in drug discovery pipelines and biochemical assays has positioned it as a critical building block. Suppliers often highlight its CAS number 41740-15-2 in product catalogs to facilitate procurement by researchers. The compound's stability under standard laboratory conditions further enhances its appeal.

Environmental and safety considerations are also integral to the discussion of 1,3-Diethyl-6-aminouracil. While it is not classified as hazardous, proper handling protocols are recommended to ensure workplace safety. Researchers emphasize the importance of material safety data sheets (MSDS) when working with this compound, aligning with broader industry standards for chemical management.

Looking ahead, the future of 1,3-Diethyl-6-aminouracil appears promising. With advancements in computational chemistry and structure-activity relationship (SAR) studies, its applications are expected to expand. The compound's compatibility with emerging technologies like machine learning in drug design underscores its potential in next-generation research. As the scientific community continues to explore uracil-based compounds, 1,3-Diethyl-6-aminouracil will likely remain a focal point of innovation.

In summary, 1,3-Diethyl-6-aminouracil (CAS No. 41740-15-2) is a multifaceted compound with significant implications for pharmaceutical and biochemical research. Its unique properties, coupled with its role in drug discovery and molecular studies, make it a valuable asset in the scientific toolkit. As interest in heterocyclic chemistry grows, this compound will continue to inspire new avenues of exploration and application.

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