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    CAS 830346-48-0

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 830346-48-0, 5-bromo-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1h,3h)-dione, 5-bromo-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1h-pyrimidine-2,4-dione, K6zvl4b7ja, 5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1h,3h)-dione, 5-bromo-1-(2-fluoro-6-trifluoromethylbenzyl)-6-methyl-1h-pyrimidine-2,4-dione
    Molecular Formula
    C13H9BrF4N2O2
    Molecular Weight
    381.12  g/mol
    InChI Key
    RDQPTRWUBKZZFJ-UHFFFAOYSA-N
    FDA UNII
    K6ZVL4B7JA
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C13H9BrF4N2O2/c1-6-10(14)11(21)19-12(22)20(6)5-7-8(13(16,17)18)3-2-4-9(7)15/h2-4H,5H2,1H3,(H,19,21,22)
    2.1.3 InChI Key
    RDQPTRWUBKZZFJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)Br
    2.2 Other Identifiers
    2.2.1 UNII
    K6ZVL4B7JA
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 830346-48-0

    2. 5-bromo-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1h,3h)-dione

    3. 5-bromo-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1h-pyrimidine-2,4-dione

    4. K6zvl4b7ja

    5. 5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1h,3h)-dione

    6. 5-bromo-1-(2-fluoro-6-trifluoromethylbenzyl)-6-methyl-1h-pyrimidine-2,4-dione

    7. Mfcd12546646

    8. 5-bromo-1-(2-fluoro-6-(trifluoromethyl)benzyl)-4-hydroxy-6-methylpyrimidin-2(1h)-one

    9. 5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione

    10. 2,4(1h,3h)-pyrimidinedione, 5-bromo-1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-

    11. 2,4(1h,3h)-pyrimidinedione, 5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-

    12. 5-bromo-1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

    13. 5-bromo-1-([2-fluoro-6-(trifluoromethyl)phenyl]methyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

    14. Unii-k6zvl4b7ja

    15. Schembl1740707

    16. Amy16500

    17. Zinc35973432

    18. Akos025404694

    19. Sb17979

    20. 2,4(1h,3h)-pyrimidinedione,5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-

    21. Ac-31343

    22. As-36700

    23. Sy099629

    24. Ds-016951

    25. Cs-0050652

    26. 5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2.4(1h,3h)-dione

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 381.12 g/mol
    Molecular Formula C13H9BrF4N2O2
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass379.97835 g/mol
    Monoisotopic Mass379.97835 g/mol
    Topological Polar Surface Area49.4 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity521
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1