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    CAS 52853-40-4

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 52853-40-4, 6-bromomethyl-pteridine-2,4-diamine hbr, 6-(bromomethyl)-2,4-pteridinediamine hydrobromide, 2,4-diamino-6-(bromomethyl)pteridine hydrobromide, 6-(bromomethyl)-2,4-pteridinediamine hydrobromide (technical grade), 6-bromomethyl-pteridine-2,4-diaminehbr
    Molecular Formula
    C7H8Br2N6
    Molecular Weight
    335.99  g/mol
    InChI Key
    KMQIBGKVZDBGAH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-(bromomethyl)pteridine-2,4-diamine;hydrobromide
    2.1.2 InChI
    InChI=1S/C7H7BrN6.BrH/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;/h2H,1H2,(H4,9,10,11,13,14);1H
    2.1.3 InChI Key
    KMQIBGKVZDBGAH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(N=C2C(=NC(=NC2=N1)N)N)CBr.Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 52853-40-4

    2. 6-bromomethyl-pteridine-2,4-diamine Hbr

    3. 6-(bromomethyl)-2,4-pteridinediamine Hydrobromide

    4. 2,4-diamino-6-(bromomethyl)pteridine Hydrobromide

    5. 6-(bromomethyl)-2,4-pteridinediamine Hydrobromide (technical Grade)

    6. 6-bromomethyl-pteridine-2,4-diaminehbr

    7. 6-(bromomethyl)pteridine-2,4-diamine;hydrobromide

    8. 2,4-pteridinediamine, 6-(bromomethyl)-, Monohydrobromide

    9. 6-(bromomethyl)-2,4-pteridinediamine Hydrobromide, Tech Grade

    10. 6-(bromomethyl)pteridine-2,4-diamine (hydrobromide)

    11. 6-(bromomethyl)-2,4-diaminopteridine Hydrobromide

    12. Schembl1116048

    13. Dtxsid00967321

    14. Amy42059

    15. Bcp09299

    16. Cs-b0319

    17. Mfcd09833976

    18. Nsc253943

    19. Akos016001372

    20. Nsc-253943

    21. As-20012

    22. 6-(bromomethyl)pteridine-2,4-diamine Hbr

    23. Ft-0663793

    24. 2,4-diamino-6-bromomethylpteridine Hydrobromide

    25. 6-bromomethyl-2,4-diaminopteridine Hydrobromide

    26. 6-bromomethyl-2,4-pteridinediamine Hydrobromide

    27. 6-bromomethyl-2, 4-pteridinediamine Hydrobromide

    28. (6-bromomethyl)-2,4-pteridinediamine Hydrobromide

    29. A851765

    30. Ethyl3-(2,4,5-trifluoro-3-methylphenyl)-3-oxopropanoate

    31. 2,4-pteridinediamine,6-(bromomethyl)-, Hydrobromide (1:1) ;

    32. 6-(bromomethyl)-2-imino-2,3-dihydropteridin-4-amine--hydrogen Bromide (1/1)

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 335.99 g/mol
    Molecular Formula C7H8Br2N6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count1
    Exact Mass335.91567 g/mol
    Monoisotopic Mass333.91772 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity203
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2