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    CAS 145783-15-9

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 145783-15-9, 4,6-dichloro-2-propylthiopyrimidine-5-amine, 5-pyrimidinamine, 4,6-dichloro-2-(propylthio)-, 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine, 5-amino-4,6-dichloro-2-(propylthio)pyrimidine, 4,6-dichloro-2-(propylsulfanyl)pyrimidin-5-amine
    Molecular Formula
    C7H9Cl2N3S
    Molecular Weight
    238.14  g/mol
    InChI Key
    CJJLJBFJNXMANZ-UHFFFAOYSA-N
    FDA UNII
    QY0S1U6LEG
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,6-dichloro-2-propylsulfanylpyrimidin-5-amine
    2.1.2 InChI
    InChI=1S/C7H9Cl2N3S/c1-2-3-13-7-11-5(8)4(10)6(9)12-7/h2-3,10H2,1H3
    2.1.3 InChI Key
    CJJLJBFJNXMANZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCSC1=NC(=C(C(=N1)Cl)N)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    QY0S1U6LEG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 145783-15-9

    2. 4,6-dichloro-2-propylthiopyrimidine-5-amine

    3. 5-pyrimidinamine, 4,6-dichloro-2-(propylthio)-

    4. 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine

    5. 5-amino-4,6-dichloro-2-(propylthio)pyrimidine

    6. 4,6-dichloro-2-(propylsulfanyl)pyrimidin-5-amine

    7. Qy0s1u6leg

    8. Mfcd16875503

    9. 4,6-dichloro-2-(propylthio) Pyrimidine-5-amine

    10. 4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine

    11. Unii-qy0s1u6leg

    12. Schembl595428

    13. Ticagrelor Related Compound 76

    14. Ammd00023

    15. Dtxsid60465838

    16. Bcp20990

    17. Cs-m1848

    18. Zinc71186810

    19. Akos015851287

    20. Ex-7178

    21. Gs-5899

    22. Pb24255

    23. Ac-26815

    24. Bp-20662

    25. Sy023636

    26. Db-063627

    27. 5-amino-4,6-dichloro-2-propylthiopyrimidine

    28. Am20090748

    29. Ft-0686722

    30. 4,6-dichloro-2-propylthio-pyrimidine-5-amine

    31. A846829

    32. 4,6-dichloro-2-(propylsulfanyl)-pyrimidin-5-amine

    33. J-514127

    34. 4,6-dichloro-2-propylthiopyrimidine-5-amine, Aldrichcpr

    35. Ticagrelor, Ticagrelor Intermediates, Cas:145783-15-9, 4,6-dichloro-2-(propylthio)pyrimidin-5-amine

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 238.14 g/mol
    Molecular Formula C7H9Cl2N3S
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass236.9894239 g/mol
    Monoisotopic Mass236.9894239 g/mol
    Topological Polar Surface Area77.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity149
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1