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    CAS 769-42-6

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    CAS 769-42-6
    Also known as: 769-42-6, 1,3-dimethyl-1,3-diazinane-2,4,6-trione, 2,4,6(1h,3h,5h)-pyrimidinetrione, 1,3-dimethyl-, N,n'-dimethylbarbituric acid, 1,3-dimethylbarbituricacid, 1,3-dimethylpyrimidine-2,4,6(1h,3h,5h)-trione
    Molecular Formula
    C6H8N2O3
    Molecular Weight
    156.14  g/mol
    InChI Key
    VVSASNKOFCZVES-UHFFFAOYSA-N
    1 2D Structure

    CAS 769-42-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,3-dimethyl-1,3-diazinane-2,4,6-trione
    2.1.2 InChI
    InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3
    2.1.3 InChI Key
    VVSASNKOFCZVES-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C(=O)CC(=O)N(C1=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 769-42-6

    2. 1,3-dimethyl-1,3-diazinane-2,4,6-trione

    3. 2,4,6(1h,3h,5h)-pyrimidinetrione, 1,3-dimethyl-

    4. N,n'-dimethylbarbituric Acid

    5. 1,3-dimethylbarbituricacid

    6. 1,3-dimethylpyrimidine-2,4,6(1h,3h,5h)-trione

    7. Barbituric Acid, 1,3-dimethyl-

    8. 1,3-dimethyl-2,4,6(1h,3h,5h)-pyrimidinetrione

    9. 1,3-dimethyl-2,4,6(1h,3h,5h)pyrimidinetrione

    10. Einecs 212-211-7

    11. Mfcd00006675

    12. Nsc 61918

    13. 1,3 Dimethylbarbituric Acid

    14. 1,3 Dimethyl Barbituric Acid

    15. 1,3-dimethyl-barbituric Acid

    16. Mls004491692

    17. 1, 3-dimethylbarbituric Acid

    18. 1,3-dimethyl Barbituric Acid

    19. Schembl145601

    20. 1, 3-dimethyl Barbituric Acid

    21. F0777-1614

    22. Dtxsid0061115

    23. Vvsasnkofczves-uhfffaoysa-

    24. Nsc61918

    25. Ac7893

    26. Bbl023648

    27. Nsc-61918

    28. Stk398315

    29. 1,3-dimethyl-2,4,6-pyrimidinetrione

    30. Akos000119753

    31. Cs-w018012

    32. 1,3-dimethyl-pyrimidine-2,4,6-trione

    33. Upcmld0enat5883851:001

    34. Ds-14418

    35. Smr001337373

    36. Sy012975

    37. D1618

    38. 1,3-dimethylbarbituric Acid, >=99.0% (t)

    39. A838911

    40. Ae-848/30739017

    41. 2,6(1h,3h,5h)-pyrimidinetrione, 1,3-dimethyl-

    42. W-104334

    43. 1,3-dimethyl-2,4,6(1h,3h,5h)-pyrimidinetrione #

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 156.14 g/mol
    Molecular Formula C6H8N2O3
    XLogP3-0.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area57.7
    Heavy Atom Count11
    Formal Charge0
    Complexity214
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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