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    289042-11-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 289042-11-1, 5-pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, methyl ester, Methyl 4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylate, Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)pyrimidine-5-carboxylate, Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonyl)amino] pyrimidine-5-carboxylate, Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[n-methyl-n-(methylsulfonyl)amino]pyrimidine-5-carboxylate
    Molecular Formula
    C17H20FN3O4S
    Molecular Weight
    381.4  g/mol
    InChI Key
    BYVHIGJQQZGFPU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylate
    2.1.2 InChI
    InChI=1S/C17H20FN3O4S/c1-10(2)14-13(16(22)25-4)15(11-6-8-12(18)9-7-11)20-17(19-14)21(3)26(5,23)24/h6-10H,1-5H3
    2.1.3 InChI Key
    BYVHIGJQQZGFPU-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 289042-11-1

    2. 5-pyrimidinecarboxylic Acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, Methyl Ester

    3. Methyl 4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylate

    4. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)pyrimidine-5-carboxylate

    5. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonyl)amino] Pyrimidine-5-carboxylate

    6. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[n-methyl-n-(methylsulfonyl)amino]pyrimidine-5-carboxylate

    7. Mfcd08235142

    8. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate

    9. Schembl1752130

    10. Dtxsid90433000

    11. Bcp12235

    12. Ac-448

    13. Akos000280358

    14. Sb58346

    15. As-19277

    16. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methanesulfonyl-n-methylamino)-pyrimidine-5-carboxylate

    17. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methanesulphonyl-n-methylamino)pyrimidine-5-carboxylate

    18. Methyl4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidine-5-carboxylate

    19. G78828

    20. J-522243

    21. Methyl 4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methanesulfonamido)pyrimidine-5-carboxylate

    22. Methyl 4-(4-fluorophenyl)-6isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate

    23. 4-(4-fluorophenyl)-6-isopropyl-2-[(methanesulfonyl)methylamino]pyrimidine-5-carboxylic Acid Methyl Ester

    24. 4-(4-fluorophenyl)-6-isopropyl-5-methoxycarbonyl-2-(n-methyl-n-methanesul-fonylamino)-pyrimidine

    25. 4-(4-fluorophenyl)-6-isopropyl-5-methoxycarbonyl-2-(n-methyl-n-methanesul-fonylamino)pyrimidine

    26. 4-(4-fluorophenyl)-6-isopropyl-5-methoxycarbonyl-2-(n-methyl-n-methanesulfonylamino)-pyrimidine

    27. 4-(4-fluorophenyl)-6-isopropyl-5-methoxycarbonyl-2-(n-methyl-n-methanesulfonylamino)pyrimidine

    28. Methyl 4-(4-fluoro-phenyl)-6-isopropyl-2-(n-methanesulphonyl-n-methyl-amino)pyrimidine-5-carboxylate

    29. Methyl 4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidine-5-carboxylate

    30. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methane-sulphonyl-n-methylamino)pyrimidine-5-carboxylate

    31. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethanesulfonamido)pyrimidine-5-carboxylate

    32. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidine-5-carboxylate(z6)

    33. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[n-methyl-n- (methylsulfonyl)amino]pyrimidine-5-carboxylate

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 381.4 g/mol
    Molecular Formula C17H20FN3O4S
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area97.8
    Heavy Atom Count26
    Formal Charge0
    Complexity587
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1