Cas no 26675-95-6 (2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-(trifluoromethyl)-)

2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-(trifluoromethyl)- is a fluorinated pyrimidine derivative with potential applications in pharmaceutical and agrochemical research. The trifluoromethyl group enhances its metabolic stability and lipophilicity, making it a valuable intermediate for drug discovery. The ethyl substitution at the 3-position further modulates its electronic and steric properties, influencing binding affinity and selectivity. This compound’s structural features suggest utility in the development of enzyme inhibitors or bioactive molecules, particularly in targeting nucleic acid-related pathways. Its well-defined heterocyclic core offers a versatile scaffold for further functionalization, supporting diverse synthetic applications. High purity and consistent quality ensure reliability in research and industrial settings.
2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-(trifluoromethyl)- structure
26675-95-6 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-(trifluoromethyl)-
CAS No:26675-95-6
MF:C7H7F3N2O2
MW:208.137892007828
MDL:MFCD04124033
CID:1427900
PubChem ID:1472056
Update Time:2025-05-25

2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-(trifluoromethyl)-
    • CHEMBL5017690
    • 10J-547S
    • 26675-95-6
    • AKOS015991684
    • 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
    • 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
    • MFCD04124033
    • 3-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
    • MDL: MFCD04124033
    • Inchi: 1S/C7H7F3N2O2/c1-2-12-5(13)3-4(7(8,9)10)11-6(12)14/h3H,2H2,1H3,(H,11,14)
    • InChI Key: DHRLGCOZPIOATC-UHFFFAOYSA-N
    • SMILES: FC(C1=CC(N(C(N1)=O)CC)=O)(F)F

Computed Properties

  • Exact Mass: 208.04601
  • Monoisotopic Mass: 208.046
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 309
  • 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: 0.5
  • Topological Polar Surface Area: 49.4?2

Experimental Properties

  • PSA: 49.41

2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-(trifluoromethyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB296190-100 mg
3-Ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione; .
26675-95-6
100 mg
€221.50 2023-07-20
Key Organics Ltd
10J-547S-1MG
3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
26675-95-6 >90%
1mg
£37.00 2025-02-08
Key Organics Ltd
10J-547S-5MG
3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
26675-95-6 >90%
5mg
£46.00 2025-02-08
Key Organics Ltd
10J-547S-10MG
3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
26675-95-6 >90%
10mg
£63.00 2025-02-08
Key Organics Ltd
10J-547S-50MG
3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
26675-95-6 >90%
50mg
£102.00 2025-02-08
Key Organics Ltd
10J-547S-100MG
3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
26675-95-6 >90%
100mg
£146.00 2025-02-08
abcr
AB296190-100mg
3-Ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione; .
26675-95-6
100mg
€283.50 2024-06-09
Ambeed
A878507-1g
3-Ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
26675-95-6 90%
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$350.0 2024-07-28

Additional information on 2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-(trifluoromethyl)-

2,4(1H,3H)-Pyrimidinedione, 3-Ethyl-6-(Trifluoromethyl)-: A Comprehensive Overview

The compound with CAS No. 26675-95-6, commonly referred to as 2,4(1H,3H)-pyrimidinedione, 3-ethyl-6-(trifluoromethyl)-, is a fascinating molecule with significant applications in various fields. This compound belongs to the class of pyrimidinediones, which are heterocyclic aromatic compounds with two nitrogen atoms in the ring structure. The presence of the trifluoromethyl group at the 6-position and the ethyl group at the 3-position introduces unique electronic and steric properties to the molecule.

Recent studies have highlighted the importance of pyrimidinedione derivatives in drug discovery and material science. The trifluoromethyl group is known for its electron-withdrawing properties, which can enhance the stability and reactivity of the molecule. This makes it a valuable component in designing bioactive compounds with potential applications in cancer therapy and antiviral agents.

The synthesis of 2,4(1H,3H)-pyrimidinedione, 3-ethyl-6-(trifluoromethyl)- involves a multi-step process that typically starts with a suitable pyrimidine precursor. The introduction of the trifluoromethyl group is often achieved through electrophilic substitution or nucleophilic aromatic substitution reactions. The optimization of reaction conditions has been a focus of recent research to improve yield and purity.

In terms of applications, this compound has shown promise in the development of advanced materials. Its ability to form stable coordination complexes makes it a candidate for use in catalysis and sensor technologies. Additionally, its electronic properties make it suitable for applications in organic electronics, such as organic light-emitting diodes (OLEDs) and field-effect transistors (FETs).

Recent research has also explored the biological activity of 2,4(1H,3H)-pyrimidinedione, 3-ethyl-6-(trifluoromethyl)-. Studies have demonstrated its potential as an inhibitor of certain enzymes involved in metabolic pathways. This has led to investigations into its role as a lead compound for developing novel therapeutic agents.

The structural versatility of this compound allows for further functionalization to tailor its properties for specific applications. For instance, modifications to the substituents at the 3 and 6 positions can significantly alter its reactivity and selectivity in chemical reactions.

In conclusion, 2,4(1H,3H)-pyrimidinedione, 3-ethyl-6-(trifluoromethyl)- is a versatile compound with a wide range of potential applications. Its unique structure and functional groups make it an attractive target for researchers in various disciplines. Continued exploration into its properties and applications will undoubtedly yield new insights and innovations in the coming years.

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