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    CAS 289042-10-0

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 289042-10-0, N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide, N-[5-(diphenylphosphorylmethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-n-methylmethanesulfonamide, Rosuvastatin intermediates zd9, Methanesulfonamide, n-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl-, Diphenyl[4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonyl)amino-pyrimidin-5-yl-methyl]phosph
    Molecular Formula
    C28H29FN3O3PS
    Molecular Weight
    537.6  g/mol
    InChI Key
    CVRDGWDBQZPJJI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[5-(diphenylphosphorylmethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
    2.1.2 InChI
    InChI=1S/C28H29FN3O3PS/c1-20(2)26-25(19-36(33,23-11-7-5-8-12-23)24-13-9-6-10-14-24)27(21-15-17-22(29)18-16-21)31-28(30-26)32(3)37(4,34)35/h5-18,20H,19H2,1-4H3
    2.1.3 InChI Key
    CVRDGWDBQZPJJI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C1=NC(=NC(=C1CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F)N(C)S(=O)(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 289042-10-0

    2. N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide

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

    4. Rosuvastatin Intermediates Zd9

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

    6. Diphenyl[4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonyl)amino-pyrimidin-5-yl-methyl]phosph

    7. Cid 9937035

    8. N-[5-(diphenyl-phosphinoylmethyl)-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidin-2-yl]-n-methyl-methanesulfonamide

    9. Schembl247277

    10. Amy3280

    11. Dtxsid20433038

    12. Bcp14872

    13. Mfcd09839448

    14. Zinc72399762

    15. Akos015918318

    16. Ac-3407

    17. As-75021

    18. Cs-0154296

    19. Ft-0655698

    20. J3.653.604g

    21. A24854

    22. D82376

    23. 042d100

    24. 5-[(diphenylphosphinyl)methyl]4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine

    25. Diphenyl [2-(n-methyl-n-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-ylmethyl]phosphine Oxide

    26. Diphenyl[2-(n-methyl-n-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-ylmethyl]phosphine Oxide

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

    28. Methanesulfonamide, N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl;4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino] Pyriminl-5-yl- Phosphine Oxide;n-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide

    29. N-[5-(diphenylphosphinoylmethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl]-n-methylmethanesulphonamide

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

    31. N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-n-methylmethanesulfonamide

    32. N-{5-[(diphenylphosphoroso)methyl]-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl}-n-methylmethanesulfonamide

    33. N-{5-[(diphenylphosphoryl)methyl]-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl}-n-methylmethanesulfonamide

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 537.6 g/mol
    Molecular Formula C28H29FN3O3PS
    XLogP34.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass537.16512813 g/mol
    Monoisotopic Mass537.16512813 g/mol
    Topological Polar Surface Area88.6 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity856
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1