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    CAS 147118-36-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 147118-36-3, 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol, N-(4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide, N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-propan-2-ylpyrimidin-2-yl]-n-methylmethanesulfonamide, Mfcd08063917, 4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropyl-2-(n-methylmethanesulfonylamino)pyrimidine
    Molecular Formula
    C16H20FN3O3S
    Molecular Weight
    353.4  g/mol
    InChI Key
    MSDYDUNHTAYBHV-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
    2.1.2 InChI
    InChI=1S/C16H20FN3O3S/c1-10(2)14-13(9-21)15(11-5-7-12(17)8-6-11)19-16(18-14)20(3)24(4,22)23/h5-8,10,21H,9H2,1-4H3
    2.1.3 InChI Key
    MSDYDUNHTAYBHV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C1=NC(=NC(=C1CO)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 147118-36-3

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

    3. N-(4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide

    4. N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-propan-2-ylpyrimidin-2-yl]-n-methylmethanesulfonamide

    5. Mfcd08063917

    6. 4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropyl-2-(n-methylmethanesulfonylamino)pyrimidine

    7. N-[4-(4-fluorophenyl)-5-hydroxymethyl-6-isopropylpyrimidin-2-yl]-n-methylmethanesulfonamide

    8. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidine-5-methanol

    9. 4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-methanol

    10. N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-n-methylmethanesulfonamide

    11. Schembl2690

    12. Amy3276

    13. Dtxsid90431324

    14. Bcp26429

    15. Ac-447

    16. Zinc22016627

    17. Akos015897401

    18. Sb58016

    19. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino) Pyrimidin-5-methanol

    20. S10387

    21. Ds-11314

    22. Sy046716

    23. Cs-0154297

    24. Ft-0643399

    25. A23364

    26. 118f363

    27. J-513515

    28. [4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidin-5-yl]methanol

    29. [4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulphonylamino)pyrimidin-5-yl]methanol

    30. [4-(4-fluorophenyl0-6-isopropyl-2-(n-methyl-n-methylsulfonyl-amino)pyrimidin-5-yl]methano

    31. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl) Amino] Pyrimidine-5-yl-methanol

    32. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl) Amino]pyrimidine-5-yl-methanol

    33. Methanesulfonamide, N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl-

    34. N-(4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-n-methyl Methanesulfonamide

    35. N-(4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide;4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsufonyl)amino]pyrimidine-5-yl-methanol

    36. N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidine-2-yl]-n-methylmethanesulfonamide

    37. N-[4-(4-fluorophenyl)-5-hydroxymethyl-6-isopropyl-pyrimidin-2-yl]-n-methyl-methanesulfonamide

    38. N-[4-(4-fluorophenyl)-5-hydroxymethyl-6-isopropylpyrimidin-2-yl]- N-methylmethanesulfonamide

    39. Rosuvastatin Impurity (n-[4-(4-fluorophenyl)-5-hydroxymethyl-6-isopropylpyrimidin-2-yl]-n-methylmethanesulfonamide)

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 353.4 g/mol
    Molecular Formula C16H20FN3O3S
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass353.12094084 g/mol
    Monoisotopic Mass353.12094084 g/mol
    Topological Polar Surface Area91.8 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity503
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1