Cas no 54308-63-3 (2-(ethylthio)pyrimidin-4-amine)

2-(Ethylthio)pyrimidin-4-amine is a pyrimidine derivative featuring an ethylthio substituent at the 2-position and an amino group at the 4-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its reactive amino and thioether functionalities enable selective modifications, making it valuable for constructing heterocyclic frameworks. The ethylthio group enhances solubility and stability, while the pyrimidine core offers a rigid scaffold for further functionalization. This compound is commonly utilized in medicinal chemistry for designing kinase inhibitors and antimicrobial agents due to its ability to mimic biologically relevant structures. Suitable for controlled reactions under standard conditions, it is supplied with high purity for research and industrial applications.
2-(ethylthio)pyrimidin-4-amine structure
54308-63-3 structure
Product Name:2-(ethylthio)pyrimidin-4-amine
CAS No:54308-63-3
MF:C6H9N3S
MW:155.220759153366
MDL:MFCD01646352
CID:1588464
PubChem ID:565730
Update Time:2025-06-07

2-(ethylthio)pyrimidin-4-amine Chemical and Physical Properties

Names and Identifiers

    • 2-(ethylsulfanyl)pyrimidin-4-amine
    • 4-pyrimidinamine, 2-(ethylthio)-
    • 2-(Ethylthio)pyrimidin-4-amine
    • 2-(ethylthio)-4-pyrimidinamine
    • 4-amino-2-(ethylthio)pyrimidin
    • A3658
    • CS-0317645
    • 2-(Ethylsulfanyl)-4-pyrimidinamine #
    • 2-(ethylthio)pyrimidin-4-amine;4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile
    • 2-Ethylthio-4-pyrimidinamine
    • 2-(ethylsulfanyl)pyrimidin-4-amine, AldrichCPR
    • 54308-63-3
    • LS-02958
    • 2-ethylsulfanylpyrimidin-4-amine
    • AKOS000321738
    • SB55556
    • STK505496
    • 2-Athylmercapto-4-amino-pyrimidin
    • CHEMBL4522388
    • MFCD01646352
    • AB-323/25048159
    • 2-(ethylthio)pyrimidin-4-amine
    • MDL: MFCD01646352
    • Inchi: 1S/C6H9N3S/c1-2-10-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3,(H2,7,8,9)
    • InChI Key: XXVJBOUBVBZMNM-UHFFFAOYSA-N
    • SMILES: S(C1N=CC=C(N)N=1)CC

Computed Properties

  • Exact Mass: 155.05187
  • Monoisotopic Mass: 155.05171847g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 99
  • 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: 77.1?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 317.8±15.0 °C at 760 mmHg
  • Flash Point: 146.0±20.4 °C
  • PSA: 51.8
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

2-(ethylthio)pyrimidin-4-amine Security Information

2-(ethylthio)pyrimidin-4-amine Pricemore >>

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