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    CAS 1780-26-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1780-26-3, 2-methyl-4,6-dichloropyrimidine, Pyrimidine, 4,6-dichloro-2-methyl-, 4,6-dichloro-2-methyl-pyrimidine, Nsc-35923, 4um8pk8rcc
    Molecular Formula
    C5H4Cl2N2
    Molecular Weight
    163.00  g/mol
    InChI Key
    FIMUTBLUWQGTIJ-UHFFFAOYSA-N
    FDA UNII
    4UM8PK8RCC
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,6-dichloro-2-methylpyrimidine
    2.1.2 InChI
    InChI=1S/C5H4Cl2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3
    2.1.3 InChI Key
    FIMUTBLUWQGTIJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC(=CC(=N1)Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    4UM8PK8RCC
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1780-26-3

    2. 2-methyl-4,6-dichloropyrimidine

    3. Pyrimidine, 4,6-dichloro-2-methyl-

    4. 4,6-dichloro-2-methyl-pyrimidine

    5. Nsc-35923

    6. 4um8pk8rcc

    7. 4,6-dichloro-2-methylpyrimidiine

    8. Mfcd00090472

    9. 4,6-dichloro-2-methyl Pyrimidine

    10. Nsc35923

    11. Unii-4um8pk8rcc

    12. Schembl113085

    13. 4 6-dichloro-2-methylpyrimidine

    14. 4,6-dichloro-2-methyipyrimidine

    15. Dtxsid80284149

    16. 2-methyl-4,6-dichloro-pyrimidine

    17. 4,6 Dichloro-2-methyl Pyrimidine

    18. Act06398

    19. Bcp30663

    20. Cs-d1717

    21. Zinc1668486

    22. Nsc 35923

    23. Akos002337366

    24. Ac-5731

    25. Ms-1554

    26. Pb20912

    27. 4,6-dichloro-2-methylpyrimidine, 98%

    28. A3952

    29. Am20090054

    30. D3558

    31. Ft-0601163

    32. En300-59877

    33. 780d263

    34. J-011352

    35. F0001-0649

    36. 2-methyl-4,6-dichloropyrimidine;pyrimidine, 4,6-dichloro-2-methyl-;4,6-dichloro-2-methyl-pyrimidine

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 163.00 g/mol
    Molecular Formula C5H4Cl2N2
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass161.9751535 g/mol
    Monoisotopic Mass161.9751535 g/mol
    Topological Polar Surface Area25.8 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity89
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1