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    916420-27-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Dtxsid50653343, Tert-butyl 2,4-dichloro-5,8-dihydropyrido(3,4-d)pyrimidine-7(6h)-carboxylate, Refchem:892175, Dtxcid10604093, 988-220-1, 916420-27-4
    Molecular Formula
    C12H15Cl2N3O2
    Molecular Weight
    304.17  g/mol
    InChI Key
    SAEOMPAQDWZLHC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
    2.1.2 InChI
    InChI=1S/C12H15Cl2N3O2/c1-12(2,3)19-11(18)17-5-4-7-8(6-17)15-10(14)16-9(7)13/h4-6H2,1-3H3
    2.1.3 InChI Key
    SAEOMPAQDWZLHC-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Dtxsid50653343

    2. Tert-butyl 2,4-dichloro-5,8-dihydropyrido(3,4-d)pyrimidine-7(6h)-carboxylate

    3. Refchem:892175

    4. Dtxcid10604093

    5. 988-220-1

    6. 916420-27-4

    7. Tert-butyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate

    8. Mfcd09025732

    9. Tert-butyl 2,4-dichloro-6,8-dihydro-5h-pyrido[3,4-d]pyrimidine-7-carboxylate

    10. Tert-butyl 2,4-dichloro-5h,6h,7h,8h-pyrido[3,4-d]pyrimidine-7-carboxylate

    11. 7-boc-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

    12. Schembl1832511

    13. Saeompaqdwzlhc-uhfffaoysa-n

    14. Cs-d0028

    15. Sc1061

    16. Akos015841220

    17. Pb16080

    18. Tert-butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate

    19. Ac-27689

    20. Ds-10854

    21. Sy006156

    22. En300-7365897

    23. F076941

    24. 7-boc-2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine

    25. Z1505713434

    26. Tert-butyl 4,2-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate

    27. Tert-butyl2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate

    28. Tert-butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate7-boc-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

    2.3 Create Date
    2009-05-29
    3 Chemical and Physical Properties
    Molecular Weight 304.17 g/mol
    Molecular Formula C12H15Cl2N3O2
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area55.3
    Heavy Atom Count19
    Formal Charge0
    Complexity348
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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