Cas no 54460-95-6 (4(1H)-Pyrimidinone, 2-(propylthio)-)

4(1H)-Pyrimidinone, 2-(propylthio)- is a heterocyclic organic compound featuring a pyrimidinone core substituted with a propylthio group at the 2-position. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical applications. The sulfur-containing propylthio moiety enhances lipophilicity, which may improve bioavailability or membrane permeability in bioactive molecules. Its pyrimidinone scaffold is a versatile pharmacophore, often employed in medicinal chemistry for its hydrogen-bonding capabilities and structural mimicry of nucleic acid bases. The compound serves as a valuable intermediate for synthesizing more complex derivatives, particularly in the development of kinase inhibitors or antimicrobial agents. Its well-defined chemical properties facilitate precise modifications for structure-activity relationship studies.
4(1H)-Pyrimidinone, 2-(propylthio)- structure
54460-95-6 structure
Product Name:4(1H)-Pyrimidinone, 2-(propylthio)-
CAS No:54460-95-6
MF:C7H10N2OS
MW:170.232100009918
CID:354509
PubChem ID:534217
Update Time:2025-05-26

4(1H)-Pyrimidinone, 2-(propylthio)- Chemical and Physical Properties

Names and Identifiers

    • 4(1H)-Pyrimidinone, 2-(propylthio)-
    • 2-(Propylthio)-4(1H)-pyrimidinone
    • 2-propylsulfanyl-1H-pyrimidin-6-one
    • 2-(propylthio)pyrimidin-4-ol
    • SR-01000471149-1
    • SCHEMBL6135340
    • SB57221
    • 2-(Propylsulfanyl)-4-pyrimidinol #
    • SR-01000471149
    • DTXSID20336510
    • MFCD02357221
    • AKOS001655935
    • 2-(Propylthio)pyrimidin-4(1H)-one
    • AMY41808
    • 2-(propylthio)pyrimidin-4-ol? (Ticagrelor Impurity pound(c)
    • 2-Propylsulfanyl-pyrimidin-4-ol
    • EU-0009112
    • VU0061009-1
    • CS-0165739
    • 54460-95-6
    • Inchi: 1S/C7H10N2OS/c1-2-5-11-7-8-4-3-6(10)9-7/h3-4H,2,5H2,1H3,(H,8,9,10)
    • InChI Key: BZNZMDBBTRVRQI-UHFFFAOYSA-N
    • SMILES: S(C1=NC=CC(N1)=O)CCC

Computed Properties

  • Exact Mass: 170.0515
  • Monoisotopic Mass: 170.05138412g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 211
  • 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: 1.1
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 41.46

4(1H)-Pyrimidinone, 2-(propylthio)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
AG58257-100mg
2-(Propylthio)pyrimidin-4(1H)-one
54460-95-6
100mg
$1074.00 2024-04-19

4(1H)-Pyrimidinone, 2-(propylthio)- Related Literature

Additional information on 4(1H)-Pyrimidinone, 2-(propylthio)-

Comprehensive Overview of 4(1H)-Pyrimidinone, 2-(propylthio)- (CAS No. 54460-95-6)

4(1H)-Pyrimidinone, 2-(propylthio)- (CAS No. 54460-95-6) is a heterocyclic organic compound that belongs to the pyrimidinone family. This compound has garnered significant attention in recent years due to its potential applications in pharmaceuticals, agrochemicals, and material science. The pyrimidinone core structure is a key motif in many biologically active molecules, making derivatives like 2-(propylthio)-4(1H)-pyrimidinone highly valuable for research and development.

One of the most frequently searched questions about 4(1H)-Pyrimidinone, 2-(propylthio)- revolves around its synthesis and reactivity. Researchers often inquire about the optimal conditions for its preparation, as well as its stability under various environmental conditions. The compound's thioether functional group (propylthio) contributes to its unique chemical properties, including its ability to participate in nucleophilic substitution reactions. This feature makes it a versatile intermediate in organic synthesis.

In the context of current trends, 4(1H)-Pyrimidinone, 2-(propylthio)- has been explored for its potential role in drug discovery. With the growing interest in targeted therapies and small-molecule inhibitors, this compound's structural features align well with modern medicinal chemistry strategies. Its pyrimidinone scaffold is often associated with kinase inhibition, a hot topic in oncology and inflammation research. Users searching for "pyrimidinone derivatives in drug development" will find this compound particularly relevant.

Another area of interest is the compound's potential applications in agrochemicals. The 2-(propylthio) moiety may enhance the bioavailability or activity of certain pesticides or herbicides. Recent studies have highlighted the importance of sulfur-containing heterocycles in crop protection, making 4(1H)-Pyrimidinone, 2-(propylthio)- a candidate for further investigation in this field.

From a material science perspective, the compound's aromatic heterocycle structure could contribute to the development of advanced materials, such as organic semiconductors or coordination polymers. Researchers exploring "pyrimidinone-based materials" often seek information about its electronic properties and potential for functionalization.

Analytical characterization of 4(1H)-Pyrimidinone, 2-(propylthio)- is another common search topic. Techniques like NMR spectroscopy, mass spectrometry, and X-ray crystallography are frequently used to confirm its structure and purity. The compound's solubility profile—often queried as "solubility of 2-(propylthio)-4(1H)-pyrimidinone"—is crucial for its practical applications in various solvents.

In terms of safety and handling, while 4(1H)-Pyrimidinone, 2-(propylthio)- is not classified as hazardous under standard regulations, proper laboratory practices should always be followed. Users searching for "MSDS of CAS 54460-95-6" or "handling precautions for pyrimidinone derivatives" should consult reliable sources for specific guidance.

The future prospects of 4(1H)-Pyrimidinone, 2-(propylthio)- are promising, particularly in the context of green chemistry and sustainable synthesis. As the chemical industry moves toward more environmentally friendly processes, researchers are investigating catalytic methods and renewable feedstocks for producing such heterocyclic compounds. This aligns with the growing search trend for "eco-friendly synthesis of sulfur heterocycles."

In conclusion, 4(1H)-Pyrimidinone, 2-(propylthio)- (CAS No. 54460-95-6) represents a fascinating compound with diverse potential across multiple scientific disciplines. Its pyrimidinone core and propylthio substituent offer unique opportunities for innovation in pharmaceuticals, agrochemicals, and materials science. As research continues to uncover new applications, this compound is likely to remain a subject of significant interest in the scientific community.

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