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    CAS 73978-41-3
    Also known as: 73978-41-3, 2,4-diamino-6-(hydroxymethyl)pteridine hydrochloride, (2,4-diaminopteridin-6-yl)methanol;hydrochloride, 6-pteridinemethanol, 2,4-diamino-, monohydrochloride, Mfcd00191246, (2,4-diaminopteridin-6-yl)methanol hcl
    Molecular Formula
    C7H9ClN6O
    Molecular Weight
    228.64  g/mol
    InChI Key
    XZHMPUJCSYVIQL-UHFFFAOYSA-N
    1 2D Structure

    CAS 73978-41-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2,4-diaminopteridin-6-yl)methanol;hydrochloride
    2.1.2 InChI
    InChI=1S/C7H8N6O.ClH/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4;/h1,14H,2H2,(H4,8,9,10,12,13);1H
    2.1.3 InChI Key
    XZHMPUJCSYVIQL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(N=C2C(=NC(=NC2=N1)N)N)CO.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 73978-41-3

    2. 2,4-diamino-6-(hydroxymethyl)pteridine Hydrochloride

    3. (2,4-diaminopteridin-6-yl)methanol;hydrochloride

    4. 6-pteridinemethanol, 2,4-diamino-, Monohydrochloride

    5. Mfcd00191246

    6. (2,4-diaminopteridin-6-yl)methanol Hcl

    7. 2,4-diamino-6-hydroxymethylpteridine Hydrochloride

    8. (2,4-diaminopteridin-6-yl)methanolhydrochloride

    9. 2,4-diamino-6-(hydroxymethyl)-pteridine Hydrochloride

    10. Schembl3101407

    11. Bcp09302

    12. Geo-00919

    13. Akos005254571

    14. Cs-w008143

    15. Ps-7744

    16. Sy063959

    17. 2,4-diamino-6-(hydroxymethyl)pteridine Hcl

    18. Ft-0609967

    19. (2,4-diamino-6-pteridinyl)methanol Hydrochloride

    20. W-200498

    21. (2,4-diaminopteridin-6-yl)methanolhydrochloridehydrate

    22. 2,4-diaminopyrimido[4,5-b]pyrazine-6-methanol Monohydrochloride

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 228.64 g/mol
    Molecular Formula C7H9ClN6O
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count1
    Exact Mass228.0526366 g/mol
    Monoisotopic Mass228.0526366 g/mol
    Topological Polar Surface Area124 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
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