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    CAS 54-20-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 54-20-6, Trifluorothymine, 5-trifluoromethyluracil, 5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione, 5-(trifluoromethyl)pyrimidine-2,4-diol, 2,4(1h,3h)-pyrimidinedione, 5-(trifluoromethyl)-
    Molecular Formula
    C5H3F3N2O2
    Molecular Weight
    180.08  g/mol
    InChI Key
    LMNPKIOZMGYQIU-UHFFFAOYSA-N
    FDA UNII
    4U846R5P34
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
    2.1.3 InChI Key
    LMNPKIOZMGYQIU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C(=O)NC(=O)N1)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    4U846R5P34
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-tfmu

    2. Trifluoromethyluracil

    2.3.2 Depositor-Supplied Synonyms

    1. 54-20-6

    2. Trifluorothymine

    3. 5-trifluoromethyluracil

    4. 5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione

    5. 5-(trifluoromethyl)pyrimidine-2,4-diol

    6. 2,4(1h,3h)-pyrimidinedione, 5-(trifluoromethyl)-

    7. Trifluoromethyluracil

    8. 5-(trifluoromethyl)-1h-pyrimidine-2,4-dione

    9. Uracil, 5-(trifluoromethyl)-

    10. 5-trifluoromethyl-1h-pyrimidine-2,4-dione

    11. 5-trifluoromethyl Uracil

    12. L 595725-0-1

    13. Mfcd00006024

    14. Nsc73757

    15. Nsc-73757

    16. 4u846r5p34

    17. Ifluoromethyl)pyrimidine-2,4(1h,3h)-dione

    18. 5-(trifluoromethyl)-2,4(1h,3h)-pyrimidinedione

    19. 5-tfmu

    20. Einecs 200-197-5

    21. Nsc 73757

    22. 5-(trifluoromethyl)-uracil

    23. Trifluoridine

    24. Unii-4u846r5p34

    25. Trifluorothymine, 97%

    26. 5-trifluoromethyl-uracil

    27. 5-(trifluoromethyl) Uracil

    28. Wln: T6mvmvj Exfff

    29. Nciopen2_000624

    30. Schembl42449

    31. Chembl405942

    32. Dtxsid40202304

    33. 5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

    34. Hms1664j14

    35. Bcp07550

    36. Zinc1036885

    37. Bbl101944

    38. Ccg-50621

    39. Stl555741

    40. 5-trifluoromethylpyrimidine-2,4-dione

    41. Akos005063375

    42. Ac-1199

    43. Am83261

    44. Cs-w019389

    45. Fs-1051

    46. Sb57782

    47. Sy013886

    48. Ft-0619750

    49. T1622

    50. 2,3h)-pyrimidinedione, 5-(trifluoromethyl)-

    51. 54t206

    52. O11316

    53. 5-(trifluoromethyl)-2,4(1h,3h)-pyrimidinedione #

    54. Sr-01000639984-1

    55. W-105658

    56. Q27260511

    57. 1,2,3,4-tetrahydropyrazin-2,4-dione, 5-trifluoromethyl-

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 180.08 g/mol
    Molecular Formula C5H3F3N2O2
    XLogP30
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count0
    Exact Mass180.01466183 g/mol
    Monoisotopic Mass180.01466183 g/mol
    Topological Polar Surface Area58.2 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity268
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1