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    CAS 5018-38-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5018-38-2, Mfcd00087680, 4,6-dichloro-5-methoxy pyrimidine, 4,6-dichlor-5-methoxypyrimidin, 4,6-dichloro-5-methoxy-pyrimidine, Einecs 225-699-1
    Molecular Formula
    C5H4Cl2N2O
    Molecular Weight
    179.00  g/mol
    InChI Key
    IJQIGKLDBGKSNT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,6-dichloro-5-methoxypyrimidine
    2.1.2 InChI
    InChI=1S/C5H4Cl2N2O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3
    2.1.3 InChI Key
    IJQIGKLDBGKSNT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(N=CN=C1Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5018-38-2

    2. Mfcd00087680

    3. 4,6-dichloro-5-methoxy Pyrimidine

    4. 4,6-dichlor-5-methoxypyrimidin

    5. 4,6-dichloro-5-methoxy-pyrimidine

    6. Einecs 225-699-1

    7. Nsc252184

    8. Schembl288911

    9. Dtxsid90198228

    10. 4,6 Dichloro-5-methoxypyrimidine

    11. Pyrimidine,6-dichloro-5-methoxy-

    12. Act01595

    13. Zinc1556932

    14. Ab2807

    15. Bbl101086

    16. Stl554880

    17. Akos005256730

    18. Cs-w017299

    19. Nsc 252184

    20. Nsc-252184

    21. Ps-3885

    22. Sb57235

    23. 4,6-dichloro-5-methoxypyrimidine, 97%

    24. Sy016071

    25. Db-006595

    26. Am20100227

    27. D4723

    28. Ft-0600945

    29. 018d382

    30. W-105980

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 179.00 g/mol
    Molecular Formula C5H4Cl2N2O
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass177.9700681 g/mol
    Monoisotopic Mass177.9700681 g/mol
    Topological Polar Surface Area35 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity104
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1