Cas no 948549-74-4 (2-Cyclopropylamino-pyrimidine-4-carbaldehyde)

2-Cyclopropylamino-pyrimidine-4-carbaldehyde is a versatile heterocyclic compound featuring a pyrimidine core functionalized with a cyclopropylamino group and a formyl substituent. This structure imparts reactivity suitable for further derivatization, making it valuable in pharmaceutical and agrochemical synthesis. The aldehyde group enables condensation and nucleophilic addition reactions, while the cyclopropyl moiety may enhance metabolic stability in bioactive molecules. Its well-defined molecular framework is advantageous for constructing complex scaffolds in medicinal chemistry. The compound’s purity and stability under standard conditions ensure reliable performance in synthetic applications. It is particularly useful in the development of kinase inhibitors and other targeted therapeutics.
2-Cyclopropylamino-pyrimidine-4-carbaldehyde structure
948549-74-4 structure
Product Name:2-Cyclopropylamino-pyrimidine-4-carbaldehyde
CAS No:948549-74-4
MF:C8H9N3O
MW:163.176561117172
CID:796767
PubChem ID:29939804
Update Time:2025-11-02

2-Cyclopropylamino-pyrimidine-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclopropylamino-pyrimidine-4-carbaldehyde
    • 2-(cyclopropylamino)pyrimidine-4-carbaldehyde
    • 4-Pyrimidinecarboxaldehyde,2-(cyclopropylamino)-
    • C8H9N3O
    • 2-(Cyclopropylamino)-4-pyrimidinecarboxaldehyde (ACI)
    • 2-Cyclopropylaminopyrimidine-4-carbaldehyde
    • AKOS006228527
    • DTXSID20652328
    • 948549-74-4
    • W-204119
    • SB55744
    • AC-5058
    • MDL: MFCD09832935
    • Inchi: 1S/C8H9N3O/c12-5-7-3-4-9-8(11-7)10-6-1-2-6/h3-6H,1-2H2,(H,9,10,11)
    • InChI Key: ZRJHVWLAGLLEAO-UHFFFAOYSA-N
    • SMILES: O=CC1C=CN=C(NC2CC2)N=1

Computed Properties

  • Exact Mass: 163.07500
  • Monoisotopic Mass: 163.074561919g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 170
  • 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: 0.9
  • Topological Polar Surface Area: 54.9?2

Experimental Properties

  • PSA: 54.88000
  • LogP: 0.93640

2-Cyclopropylamino-pyrimidine-4-carbaldehyde 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 2-Cyclopropylamino-pyrimidine-4-carbaldehyde

Exploring the Versatile Applications and Properties of 2-Cyclopropylamino-pyrimidine-4-carbaldehyde (CAS No. 948549-74-4)

In the dynamic field of organic chemistry, 2-Cyclopropylamino-pyrimidine-4-carbaldehyde (CAS No. 948549-74-4) has emerged as a compound of significant interest due to its unique structural features and broad applicability. This pyrimidine derivative is characterized by the presence of a cyclopropylamino group and an aldehyde functionality, making it a valuable intermediate in pharmaceutical and agrochemical research. Researchers and industry professionals are increasingly exploring its potential, driven by the growing demand for novel heterocyclic compounds in drug discovery and material science.

The molecular structure of 2-Cyclopropylamino-pyrimidine-4-carbaldehyde offers intriguing possibilities for synthetic modifications. The aldehyde group at the 4-position of the pyrimidine ring serves as a reactive handle for further functionalization, enabling the creation of diverse derivatives. This adaptability is particularly valuable in the development of small molecule inhibitors, a hot topic in current medicinal chemistry. With the rise of targeted therapies and personalized medicine, compounds like 2-Cyclopropylamino-pyrimidine-4-carbaldehyde are gaining attention for their potential in designing selective enzyme inhibitors.

Recent trends in chemical research highlight the importance of cyclopropyl-containing compounds, owing to their unique steric and electronic properties. The cyclopropylamino moiety in 948549-74-4 contributes to enhanced metabolic stability and improved pharmacokinetic profiles, making it particularly relevant in the context of modern drug design. Pharmaceutical companies are actively investigating similar structures for their potential in addressing challenging therapeutic targets, especially in oncology and infectious diseases.

From a synthetic chemistry perspective, 2-Cyclopropylamino-pyrimidine-4-carbaldehyde serves as a crucial building block for various multi-component reactions. Its compatibility with numerous reaction conditions makes it a favorite among synthetic chemists working on green chemistry approaches. As sustainability becomes a key concern in chemical manufacturing, the efficient utilization of such versatile intermediates aligns well with the industry's shift toward environmentally friendly processes.

The analytical characterization of 948549-74-4 typically involves advanced techniques such as NMR spectroscopy, mass spectrometry, and HPLC analysis. These methods confirm the compound's purity and structural integrity, which are critical parameters for research applications. Quality control protocols for 2-Cyclopropylamino-pyrimidine-4-carbaldehyde have become increasingly stringent, reflecting the compound's growing importance in high-value applications.

In material science, the pyrimidine-carbaldehyde scaffold has shown promise for developing novel organic electronic materials. The conjugated system and potential for hydrogen bonding make derivatives of 2-Cyclopropylamino-pyrimidine-4-carbaldehyde interesting candidates for organic semiconductors and photovoltaic applications. This aligns with current research trends focusing on sustainable energy solutions and advanced materials for electronics.

Market analysis indicates steady growth in demand for specialized pyrimidine derivatives, with 948549-74-4 being no exception. The compound's versatility has led to increased patent activity, particularly in pharmaceutical applications. Companies specializing in custom synthesis and contract research are expanding their portfolios to include such valuable intermediates, catering to the needs of drug discovery programs worldwide.

Handling and storage recommendations for 2-Cyclopropylamino-pyrimidine-4-carbaldehyde follow standard protocols for aldehyde-containing compounds. Proper storage conditions typically involve protection from moisture and oxidation, often under inert atmosphere when long-term stability is required. These considerations are particularly important for researchers working with sensitive intermediates in complex synthetic routes.

The future outlook for 2-Cyclopropylamino-pyrimidine-4-carbaldehyde appears promising, with potential applications expanding beyond traditional medicinal chemistry. Emerging fields such as chemical biology and bioconjugation may benefit from the compound's reactive aldehyde group for probe development and labeling strategies. As research continues to uncover new applications, the significance of this versatile heterocyclic aldehyde is likely to grow across multiple scientific disciplines.

For researchers interested in exploring 948549-74-4 further, recent literature highlights its use in cascade reactions and catalyzed transformations. The compound's reactivity profile makes it suitable for various modern synthetic methodologies, including metal-catalyzed couplings and organocatalytic processes. These applications position 2-Cyclopropylamino-pyrimidine-4-carbaldehyde as a valuable tool for innovative synthetic strategies in academic and industrial settings alike.

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