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    CAS 888504-27-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 888504-27-6, 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic acid methyl ester, Methyl 5-hydroxy-1-methyl-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidine-4-carboxylate, 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic acid methyl ester, Methyl 2-(1-cbz-nh-i-pr)-5-oh-1-me-6-oxo-1,6-dihydropyrimidine-4-carboxylate, 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarbox
    Molecular Formula
    C18H21N3O6
    Molecular Weight
    375.4  g/mol
    InChI Key
    SNDXNBICJATRDW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 5-hydroxy-1-methyl-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidine-4-carboxylate
    2.1.2 InChI
    InChI=1S/C18H21N3O6/c1-18(2,20-17(25)27-10-11-8-6-5-7-9-11)16-19-12(15(24)26-4)13(22)14(23)21(16)3/h5-9,22H,10H2,1-4H3,(H,20,25)
    2.1.3 InChI Key
    SNDXNBICJATRDW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C1=NC(=C(C(=O)N1C)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 888504-27-6

    2. 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester

    3. Methyl 5-hydroxy-1-methyl-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidine-4-carboxylate

    4. 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester

    5. Methyl 2-(1-cbz-nh-i-pr)-5-oh-1-me-6-oxo-1,6-dihydropyrimidine-4-carboxylate

    6. 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarbox

    7. 4-pyrimidinecarboxylic Acid, 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-, Methyl Ester

    8. 1,6-dihydro-5-hydroxy-1-methyl-2-(1-methyl-1-(((phenylmethoxy)carbonyl)amino)ethyl)-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester

    9. Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate

    10. Schembl8266635

    11. Dtxsid40715848

    12. Amy40341

    13. Bcp13466

    14. Mfcd10698809

    15. Zinc21300715

    16. Akos015899187

    17. Cs-w005294

    18. Ds-1946

    19. Sb57891

    20. 1100750-74-0

    21. Ac-25867

    22. Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate

    23. Methyl2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate

    24. Db-059967

    25. Ft-0666998

    26. 504p276

    27. A852384

    28. J-504034

    29. 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy) Carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester

    30. Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-16-dihydropyrimidine-4-carboxylate

    31. Methyl 2-[2-(benzyloxycarbonylamino)propan-2-yl]-5-hydroxy-1-methyl-6-oxo-1,6- Dihydropyrimidine-4-carboxylate

    2.3 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 375.4 g/mol
    Molecular Formula C18H21N3O6
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count7
    Exact Mass375.14303540 g/mol
    Monoisotopic Mass375.14303540 g/mol
    Topological Polar Surface Area118 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity677
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1