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    CAS 799842-07-2

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 799842-07-2, N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-n-methylmethane sulfonamide, N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-n-methylmethanesulfonamide, N-(5-(bromomethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide, N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-n-methylmethanesulfonamide, N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropropyl-pyrimidine-2-yl]-n-methylmethane sulfonamide
    Molecular Formula
    C16H19BrFN3O2S
    Molecular Weight
    416.3  g/mol
    InChI Key
    PHEVHIWIKJRWDB-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
    2.1.2 InChI
    InChI=1S/C16H19BrFN3O2S/c1-10(2)14-13(9-17)15(11-5-7-12(18)8-6-11)20-16(19-14)21(3)24(4,22)23/h5-8,10H,9H2,1-4H3
    2.1.3 InChI Key
    PHEVHIWIKJRWDB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C1=NC(=NC(=C1CBr)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 799842-07-2

    2. N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-n-methylmethane Sulfonamide

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

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

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

    6. N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropropyl-pyrimidine-2-yl]-n-methylmethane Sulfonamide

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

    8. Schembl246597

    9. Amy3277

    10. Dtxsid60586274

    11. Bcp10918

    12. Mfcd08694308

    13. Zinc35635760

    14. Akos000280338

    15. Ac-3406

    16. Ds-15541

    17. Db-037962

    18. Cs-0165318

    19. Ft-0653120

    20. A24852

    21. 842b072

    22. N-(4-(4-fluorophenyl)-5-(bromomethyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide

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

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

    25. N-(5-(bromomethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide? (rosuvastatin Impurity Pound(c)

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

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

    28. N-[5-bromomethyl-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl-methanesulfonamide;5-(bromomethyl)-4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine;n-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-n-methylmethane Sulfonamide

    2.3 Create Date
    2007-07-31
    3 Chemical and Physical Properties
    Molecular Weight 416.3 g/mol
    Molecular Formula C16H19BrFN3O2S
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass415.03654 g/mol
    Monoisotopic Mass415.03654 g/mol
    Topological Polar Surface Area71.5 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity506
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1