Cas no 1033693-14-9 (2-Propylpyrimidine-5-carbonitrile)

2-Propylpyrimidine-5-carbonitrile structure
1033693-14-9 structure
Product Name:2-Propylpyrimidine-5-carbonitrile
CAS No:1033693-14-9
MF:C8H9N3
MW:147.177160978317
MDL:MFCD10686619
CID:1087530
PubChem ID:28065038
Update Time:2025-11-01

2-Propylpyrimidine-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Propylpyrimidine-5-carbonitrile
    • 2-Propyl-5-pyrimidinecarbonitrile
    • BS-39896
    • 1033693-14-9
    • CS-0445446
    • AKOS006304566
    • MFCD10686619
    • SB56840
    • DTXSID801298802
    • SCHEMBL25392178
    • MDL: MFCD10686619
    • Inchi: 1S/C8H9N3/c1-2-3-8-10-5-7(4-9)6-11-8/h5-6H,2-3H2,1H3
    • InChI Key: KDVJXXVGCAXALB-UHFFFAOYSA-N
    • SMILES: N1C=C(C#N)C=NC=1CCC

Computed Properties

  • Exact Mass: 147.079647300g/mol
  • Monoisotopic Mass: 147.079647300g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 150
  • 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: 49.6?2

2-Propylpyrimidine-5-carbonitrile Pricemore >>

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Additional information on 2-Propylpyrimidine-5-carbonitrile

2-Propylpyrimidine-5-carbonitrile (CAS No. 1033693-14-9): A Promising Compound in Pharmaceutical and Biotechnological Research

2-Propylpyrimidine-5-carbonitrile, also known by its CAS number 1033693-14-9, is a nitrogen-containing heterocyclic compound that has recently garnered significant attention in the fields of pharmaceutical chemistry and molecular biology. This molecule belongs to the class of pyrimidine derivatives, which are well-established scaffolds in drug development due to their ability to modulate various biological targets, including enzymes, receptors, and ion channels. The unique structural features of 2-Propylpyrimidine-5-carbonitrile—specifically the combination of a pyrimidine ring fused with a nitrile group and a propyl side chain—make it a versatile platform for chemical modification and functionalization. Recent studies have highlighted its potential as a lead compound for the design of novel therapeutics targeting metabolic disorders, neurodegenerative diseases, and inflammatory conditions.

One of the most notable aspects of 2-Propylpyrimidine-5-carbonitrile is its structural similarity to known pharmacophores, such as the pyrimidine-based antiviral agents and antitumor drugs. The nitrile group in its molecular structure contributes to its high reactivity, enabling it to form covalent bonds with specific biomolecules, such as proteins and nucleic acids. This property is particularly relevant in the context of drug-target interactions, where the ability to form stable complexes with target proteins is critical for therapeutic efficacy. Furthermore, the propyl side chain provides additional steric and electronic flexibility, which may enhance its solubility and bioavailability in biological systems.

Recent advancements in computational chemistry and molecular modeling have facilitated the exploration of 2-Propylpyrimidine-5-carbonitrile's potential applications. A 2023 study published in Journal of Medicinal Chemistry demonstrated that this compound exhibits promising inhibitory activity against the enzyme acetyl-CoA carboxylase (ACC), a key regulator of fatty acid synthesis. ACC inhibition is associated with the suppression of lipid accumulation, making 2-Propylpyrimidine-5-carbonitrile a potential candidate for the treatment of metabolic syndrome and type 2 diabetes. The study also highlighted the importance of the nitrile group in stabilizing the enzyme-inhibitor complex, suggesting that structural modifications to the propyl chain could further optimize its pharmacological profile.

In addition to its metabolic implications, 2-Propylpyrimidine-5-carbonitrile has shown potential in the field of neuropharmacology. A 2022 preclinical study published in Neuropharmacology reported that this compound exhibits neuroprotective effects in models of Parkinson's disease. The mechanism of action appears to involve the modulation of mitochondrial function and the reduction of oxidative stress, which are key pathological features of neurodegenerative disorders. The study further emphasized the role of the pyrimidine ring in maintaining the compound's stability in the central nervous system, while the nitrile group contributes to its ability to cross the blood-brain barrier.

The synthesis and characterization of 2-Propylpyrimidine-5-carbonitrile have also been the focus of recent synthetic chemistry research. A 2024 paper in Organic Letters described a novel synthetic route to this compound using a one-pot multistep reaction involving nucleophilic substitution and ring-opening chemistry. The researchers emphasized the importance of controlling reaction conditions to minimize side reactions and achieve high yields, which is critical for the scalability of this compound in industrial settings. The study also provided detailed spectroscopic data, including NMR and mass spectrometry, to confirm the structural integrity of the final product.

From a pharmacokinetic perspective, the solubility and metabolic stability of 2-Propylpyrimidine-5-carbonitrile are critical factors that determine its therapeutic potential. A 2023 pharmacological study published in Drug Metabolism and Disposition evaluated the in vitro and in vivo behavior of this compound. The results indicated that the compound exhibits moderate solubility in aqueous solutions, which is favorable for oral administration. However, further optimization of its chemical structure may be necessary to enhance its bioavailability and reduce potential side effects. The study also suggested that the nitrile group may serve as a target for metabolic enzymes, which could influence its half-life and tissue distribution.

The exploration of 2-Propylpyrimidine-5-carbonitryle's biological activity has also extended to the field of anti-inflammatory research. A 2024 study in Immunopharmacology and Immunotoxicology demonstrated that this compound can modulate the activity of pro-inflammatory cytokines, such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α). The study proposed that the compound may exert its anti-inflammatory effects by interfering with the NF-κB signaling pathway, a central mediator of inflammatory responses. These findings suggest that 2-Propylpyrimidine-5-carbonitrile could be a valuable lead compound for the development of new anti-inflammatory drugs, particularly for conditions such as rheumatoid arthritis and inflammatory bowel disease.

Despite its promising applications, the development of 2-Propylpyrimidine-5-carbonitrile as a therapeutic agent faces several challenges. One of the primary concerns is the potential for off-target effects, which could lead to adverse pharmacological outcomes. A 2023 safety study published in Toxicological Sciences evaluated the toxicity profile of this compound in vitro and in vivo. While the compound showed minimal cytotoxicity at low concentrations, higher doses were associated with oxidative stress and mitochondrial dysfunction in certain cell types. These findings underscore the importance of further preclinical testing to ensure the safety and efficacy of this compound in human trials.

In conclusion, 2-Propylpyrimidine-5-carbonitrile represents a promising scaffold for the design of novel therapeutics with applications in metabolic, neurological, and inflammatory diseases. Its unique structural features, combined with the versatility of its chemical modifications, position it as a valuable candidate for further exploration in both academic and industrial research. As the field of medicinal chemistry continues to advance, the potential of 2-Propylpyrimidine-5-carbonitrile is likely to expand, offering new opportunities for the development of innovative treatments for a wide range of medical conditions.

For researchers and pharmaceutical scientists, the study of 2-Propylpyrimidine-5-carbonitrile offers a rich area for further investigation. Future studies may focus on optimizing its chemical structure to enhance its therapeutic properties while minimizing potential side effects. Additionally, the exploration of its interactions with various biological targets, such as ion channels and receptors, could provide new insights into its mechanism of action and broaden its applications in drug development. As such, 2-Propylpyrimidine-5-carbonitrile stands as a compelling example of how the synthesis and characterization of heterocyclic compounds can drive advancements in modern medicine.

Ultimately, the continued research into 2-Propylpyrimidine-5-carbonitrile reflects the dynamic and interdisciplinary nature of contemporary pharmaceutical science. By leveraging cutting-edge technologies in synthetic chemistry, computational modeling, and biological testing, scientists are poised to unlock the full potential of this compound and translate its promising properties into tangible therapeutic benefits for patients worldwide.

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