Cas no 770-31-0 (4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde)

4-Amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde is a versatile pyrimidine derivative characterized by its reactive aldehyde and amino functional groups, along with a methylsulfanyl substituent. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and pharmaceutical scaffolds. Its structural features enable diverse chemical modifications, making it useful for constructing complex molecules in medicinal chemistry and agrochemical research. The presence of both electron-donating (amino) and electron-withdrawing (aldehyde) groups enhances its reactivity in condensation and nucleophilic addition reactions. The methylsulfanyl moiety further contributes to its utility in sulfur-containing compound synthesis. This product is typically handled under controlled conditions due to its sensitivity.
4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde structure
770-31-0 structure
Product Name:4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
CAS No:770-31-0
MF:C6H7N3OS
MW:169.204279184341
MDL:MFCD08669438
CID:580652
PubChem ID:295769
Update Time:2025-10-22

4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde
    • 4-Amino-2-(methylthio)pyrimidine-5-carboxaldehyde
    • 4-amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde
    • 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde
    • 4-AMINO-2-METHYLTHIO-PYRIMIDINE-5-CARBALDEHYDE
    • 4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
    • 4-amino-2-(methyl sulfanyl)pyrimidine-5-carbaldehyde
    • SCHEMBL1168107
    • 770-31-0
    • MFCD08669438
    • NSC-165376
    • A19156
    • BCP03540
    • AKOS005266485
    • 5-PYRIMIDINECARBOXALDEHYDE, 4-AMINO-2-(METHYLTHIO)-
    • 4-AMINO-2-(METHYLTHIO)-5-PYRIMIDINECARBOXALDEHYDE
    • AC-29426
    • FT-0658386
    • DTXSID00304313
    • AM20100762
    • AS-19262
    • 4-amino-2-(methylsulfanyl)-pyrimidine-5-carbaldehyde
    • PB31299
    • 4-amino-2-methylsulfanyl-pyrimidine-5-carboxaldehyde
    • 4-Amino-2-methanethiopyrimidine-5-carboxaldehyde
    • Tert-butylcis-N-(2-hydroxycyclopentyl)carbamate
    • FGONQMFYFJRAIG-UHFFFAOYSA-N
    • SY026667
    • J-514307
    • NSC165376
    • CS-W003536
    • DB-010246
    • 4-amino-2-(methylsulfanyl)-5-pyrimidinecarbaldehyde
    • AN-584/43408172
    • MDL: MFCD08669438
    • Inchi: 1S/C6H7N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3,(H2,7,8,9)
    • InChI Key: FGONQMFYFJRAIG-UHFFFAOYSA-N
    • SMILES: S(C)C1=NC=C(C=O)C(N)=N1

Computed Properties

  • Exact Mass: 169.03100
  • Monoisotopic Mass: 169.031
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 144
  • 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
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 0.7
  • Topological Polar Surface Area: 94.2A^2

Experimental Properties

  • Density: 1.4
  • Melting Point: 185-189°C
  • Boiling Point: 379.7°C at 760 mmHg
  • Flash Point: 183.4 °C
  • Refractive Index: 1.62
  • PSA: 94.17000
  • LogP: 1.17440

4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde Security Information

4-amino-2-(methylsulfanyl)pyrimidine-5-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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4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:770-31-0)4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
Order Number:A19156
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:01
Price ($):269.0

Additional information on 4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

Recent Advances in the Study of 4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde (CAS: 770-31-0)

4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde (CAS: 770-31-0) is a key intermediate in the synthesis of various bioactive compounds, particularly in the field of medicinal chemistry. Recent studies have highlighted its potential as a building block for the development of novel therapeutic agents, including kinase inhibitors and antimicrobial compounds. This research brief aims to provide an overview of the latest advancements related to this compound, focusing on its synthesis, applications, and biological activities.

One of the most significant developments in the study of 4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde is its role in the synthesis of kinase inhibitors. Kinases are critical targets in cancer therapy, and recent research has demonstrated that derivatives of this compound exhibit potent inhibitory activity against specific kinase isoforms. For instance, a 2023 study published in the Journal of Medicinal Chemistry reported the synthesis of a series of pyrimidine-based inhibitors using 4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde as a starting material. These inhibitors showed promising activity against EGFR and HER2 kinases, which are often implicated in various cancers.

In addition to its applications in oncology, 4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde has also been explored for its antimicrobial properties. A recent study in the European Journal of Medicinal Chemistry (2024) investigated the compound's derivatives for their efficacy against drug-resistant bacterial strains. The results indicated that certain modifications to the pyrimidine core could enhance antibacterial activity, particularly against methicillin-resistant Staphylococcus aureus (MRSA). This finding opens new avenues for the development of next-generation antibiotics.

The synthetic pathways for 4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde have also seen advancements. A 2024 publication in Organic Letters described a novel, high-yield method for its synthesis using a one-pot reaction strategy. This approach not only improves the efficiency of production but also reduces the environmental impact by minimizing waste generation. Such innovations are critical for scaling up the production of this compound for industrial and pharmaceutical applications.

Despite these promising developments, challenges remain in the optimization of 4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde derivatives for clinical use. Issues such as bioavailability, toxicity, and selectivity need to be addressed through further research. However, the compound's versatility and the growing body of research supporting its applications suggest a bright future in drug discovery and development.

In conclusion, 4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde (CAS: 770-31-0) continues to be a focal point in medicinal chemistry research. Its role in the synthesis of kinase inhibitors and antimicrobial agents underscores its potential as a valuable scaffold for drug development. Ongoing studies are expected to further elucidate its mechanisms of action and expand its applications in treating various diseases.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:770-31-0)4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
A19156
Purity:99%
Quantity:100g
Price ($):269.0
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