Cas no 4160-77-4 (2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl-)

2,4(1H,3H)-Pyrimidinedione, 3,5-dimethyl- is a substituted pyrimidine derivative with a molecular formula of C6H8N2O2. This heterocyclic compound features a pyrimidine core with methyl groups at the 3 and 5 positions, enhancing its stability and influencing its reactivity. Its structural properties make it useful as an intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The compound’s well-defined crystalline form ensures consistent purity, while its moderate solubility in common organic solvents facilitates further functionalization. Its stability under standard conditions and predictable reactivity profile make it a reliable choice for research and industrial applications requiring precise molecular modifications.
2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl- structure
4160-77-4 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl-
CAS No:4160-77-4
MF:C6H8N2O2
MW:140.139921188354
MDL:MFCD02091247
CID:329626
PubChem ID:123209
Update Time:2025-06-08

2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl-
    • 3,5-dimethyl-1H-pyrimidine-2,4-dione
    • 3,5-Dimethyluracil
    • 3,5-Dimethyl-1H-pyrimidin-2,4-dion
    • 3-Methylthymine
    • N3-methylthymine
    • UNII-SS2K4WB6YL
    • 3-methyl-thymine
    • 3,5-dimethylpyrimidine-2,4(1H,3H)-dione
    • DTXSID90194427
    • Q27144890
    • SCHEMBL221825
    • FT-0614708
    • 3,5-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
    • CS-0452393
    • AB-323/25048560
    • 4160-77-4
    • 2,4(1H,3H)-Pyrimidinedione, 3,5-dimethyl-
    • NSC 750725
    • CHEBI:74766
    • SS2K4WB6YL
    • NSC750725
    • 1-Methylthymin (1. Form)
    • NSC-750725
    • AKOS006277989
    • MDL: MFCD02091247
    • Inchi: 1S/C6H8N2O2/c1-4-3-7-6(10)8(2)5(4)9/h3H,1-2H3,(H,7,10)
    • InChI Key: IIDONYMEGWHGRU-UHFFFAOYSA-N
    • SMILES: O=C1C(C)=CNC(N1C)=O

Computed Properties

  • Exact Mass: 140.05900
  • Monoisotopic Mass: 140.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 220
  • 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
  • Topological Polar Surface Area: 49.4A^2
  • XLogP3: -0.4

Experimental Properties

  • Density: 1.189
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.499
  • PSA: 54.86000
  • LogP: -0.61800

2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl- 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%

2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl- Pricemore >>

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2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl- Related Literature

Additional information on 2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl-

Comprehensive Overview of 2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl- (CAS No. 4160-77-4): Properties, Applications, and Industry Insights

2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl-, with the CAS No. 4160-77-4, is a specialized organic compound belonging to the pyrimidine family. This heterocyclic molecule features a six-membered ring structure with two nitrogen atoms, making it a critical intermediate in pharmaceutical and agrochemical synthesis. Its systematic name, 3,5-dimethyluracil, highlights its structural relationship to uracil, a fundamental component of RNA. The compound's unique properties, such as its solubility in polar solvents and thermal stability, have garnered significant attention in research and industrial applications.

In recent years, the demand for pyrimidine derivatives like 3,5-dimethyluracil has surged due to their versatility in drug development. Researchers are particularly interested in its role as a building block for nucleoside analogs, which are pivotal in antiviral and anticancer therapies. For instance, modifications of the pyrimidinedione core have been explored to enhance bioavailability and target specificity. This aligns with the growing trend of personalized medicine, where tailored molecular designs are crucial for effective treatments.

Beyond pharmaceuticals, CAS No. 4160-77-4 finds applications in agrochemicals, where it serves as a precursor for herbicides and plant growth regulators. The compound's ability to modulate biochemical pathways in plants has made it valuable in sustainable agriculture. With increasing global focus on food security and eco-friendly farming, the agrochemical sector is actively investigating derivatives of 3,5-dimethyl-2,4(1H,3H)-pyrimidinedione to reduce environmental impact while maintaining efficacy.

Synthetic methodologies for 2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl- have evolved to prioritize green chemistry principles. Modern techniques, such as microwave-assisted synthesis and catalytic hydrogenation, minimize waste and energy consumption. These advancements resonate with the sustainability goals of the chemical industry, addressing concerns about carbon footprints and resource efficiency. Laboratories and manufacturers are increasingly adopting these methods to meet regulatory standards and consumer expectations.

Analytical characterization of CAS No. 4160-77-4 involves advanced techniques like HPLC, NMR spectroscopy, and mass spectrometry. These tools ensure purity and consistency, which are critical for compliance with Good Manufacturing Practices (GMP). The compound's stability under various pH and temperature conditions further underscores its reliability in industrial processes. Such data is often sought by quality control professionals and formulation scientists.

Market trends indicate a steady rise in the procurement of 3,5-dimethyluracil, driven by its expanding applications. Suppliers and distributors emphasize batch-to-batch consistency and supply chain transparency to cater to pharmaceutical and agrochemical clients. Additionally, the compound's compatibility with biodegradable formulations aligns with the shift toward circular economy models in chemical manufacturing.

In conclusion, 2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl- (CAS No. 4160-77-4) exemplifies the intersection of innovation and practicality in modern chemistry. Its multifaceted roles in therapeutics, agriculture, and sustainable synthesis make it a compound of enduring relevance. As research continues to uncover new derivatives and applications, this pyrimidine derivative will likely remain a cornerstone of interdisciplinary scientific progress.

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