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    1150560-59-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1150560-59-0, 5-(2-fluoro-3-methoxyphenyl)-1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-2,4(1h,3h)-pyrimidinedione, 855-578-4, 5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1h,3h)-dione, 2,4(1h,3h)-pyrimidinedione, 5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-, Mfcd30570283
    Molecular Formula
    C20H15F5N2O3
    Molecular Weight
    426.3  g/mol
    InChI Key
    RKWZHFVZKOVXSK-UHFFFAOYSA-N
    FDA UNII
    A2J252WX52
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C20H15F5N2O3/c1-10-16(11-5-3-8-15(30-2)17(11)22)18(28)26-19(29)27(10)9-12-13(20(23,24)25)6-4-7-14(12)21/h3-8H,9H2,1-2H3,(H,26,28,29)
    2.1.3 InChI Key
    RKWZHFVZKOVXSK-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    A2J252WX52
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1150560-59-0

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

    3. 855-578-4

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

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

    6. Mfcd30570283

    7. 5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione

    8. A2j252wx52

    9. 5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1h,3h)-dione

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

    11. Eelagolix Intermediate

    12. Unii-a2j252wx52

    13. Schembl1643728

    14. C20h15f5n2o3

    15. Sb60488

    16. Ac-31341

    17. As-76986

    18. Sy060972

    19. Db-185206

    20. 5-(2-fluoro-3-methoxy-phenyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1h-pyrimidine-2,4-dione

    21. 5-(2-fluoro-3-methoxyphenyl)-1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

    22. 5-(2-fluoro-3-methoxyphenyl)-1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methyl-3h-pyrimidine-2,4-dione

    2.4 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 426.3 g/mol
    Molecular Formula C20H15F5N2O3
    XLogP33.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area58.6
    Heavy Atom Count30
    Formal Charge0
    Complexity711
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1