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    CAS 6972-27-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6972-27-6, 6-chloro-1,3-dimethylpyrimidine-2,4(1h,3h)-dione, 1,3-dimethyl-6-chlorouracil, 6-chloro-1,3-dimethyl-2,4(1h,3h)-pyrimidinedione, 6-chloro-1,3-dimethylpyrimidine-2,4-dione, 2,4(1h,3h)-pyrimidinedione, 6-chloro-1,3-dimethyl-
    Molecular Formula
    C6H7ClN2O2
    Molecular Weight
    174.58  g/mol
    InChI Key
    VATQPUHLFQHDBD-UHFFFAOYSA-N
    FDA UNII
    D2KV5G5M9F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-chloro-1,3-dimethylpyrimidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C6H7ClN2O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,1-2H3
    2.1.3 InChI Key
    VATQPUHLFQHDBD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C(=CC(=O)N(C1=O)C)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    D2KV5G5M9F
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 6972-27-6

    2. 6-chloro-1,3-dimethylpyrimidine-2,4(1h,3h)-dione

    3. 1,3-dimethyl-6-chlorouracil

    4. 6-chloro-1,3-dimethyl-2,4(1h,3h)-pyrimidinedione

    5. 6-chloro-1,3-dimethylpyrimidine-2,4-dione

    6. 2,4(1h,3h)-pyrimidinedione, 6-chloro-1,3-dimethyl-

    7. D2kv5g5m9f

    8. Mfcd00038066

    9. Nsc-61919

    10. 6-chloro-1,3-dimethyl-2,4-(1h,3h)-pyrimidinedione

    11. 6-chloro-2,4-dihydroxy-1,3-dimethylpyrimidine

    12. Nsc61919

    13. Einecs 230-205-2

    14. Unii-d2kv5g5m9f

    15. 1,3-dimethyl-4-chlorouracil

    16. 4-chloro-1,3-dimethyluracil

    17. Schembl219172

    18. Dtxsid40220008

    19. Zinc333864

    20. Albb-016815

    21. Amy23300

    22. 4,4-di-n-butoxyazoxybenzene

    23. Nsc 61919

    24. Stl122234

    25. Akos005143005

    26. Cs-w017479

    27. Sb57743

    28. Ac-14979

    29. As-12026

    30. Sy036129

    31. Db-055330

    32. 6-chloro-1,3-dimethyl-2,4-dioxopyrimidine

    33. D1619

    34. Ft-0602567

    35. A836620

    36. Ah-262/02642049

    37. W-104598

    38. 6-chloro-1,3-dimethylpyrimidine-2,4-(1h,3h)-dione

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 174.58 g/mol
    Molecular Formula C6H7ClN2O2
    XLogP30.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass174.0196052 g/mol
    Monoisotopic Mass174.0196052 g/mol
    Topological Polar Surface Area40.6 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity249
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1