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    CS-0320147

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 39944-62-2, 2,4,5,6-tetraaminopyrimidine dihydrochloride, Pyrimidinetetramine, hydrochloride, 52980-67-3, Pyrimidine-2,4,5,6-tetramine;dihydrochloride, Pyrimidine-2,4,5,6-tetramine dihydrochloride
    Molecular Formula
    C4H10Cl2N6
    Molecular Weight
    213.07  g/mol
    InChI Key
    BKYYVSKCYPCEAU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    pyrimidine-2,4,5,6-tetramine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C4H8N6.2ClH/c5-1-2(6)9-4(8)10-3(1)7;;/h5H2,(H6,6,7,8,9,10);2*1H
    2.1.3 InChI Key
    BKYYVSKCYPCEAU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1(=C(N=C(N=C1N)N)N)N.Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 39944-62-2

    2. 2,4,5,6-tetraaminopyrimidine Dihydrochloride

    3. Pyrimidinetetramine, Hydrochloride

    4. 52980-67-3

    5. Pyrimidine-2,4,5,6-tetramine;dihydrochloride

    6. Pyrimidine-2,4,5,6-tetramine Dihydrochloride

    7. Ec 619-990-6

    8. Pyrimidine, 2,4,5,6-tetraamine, Dihydrochloride

    9. Schembl63511

    10. 2,4,5,6-pyrimidinetetramine, Hydrochloride (1:2)

    11. Dtxsid90494393

    12. 2,4,5,6-tetraaminopyrimidine2hcl

    13. Akos015892520

    14. Am81331

    15. Sb58465

    16. As-61660

    17. Db-015910

    18. Cs-0320147

    19. Pyrimidine-2,4,5,6-tetraaminedihydrochloride

    20. D87791

    21. Pyrimidine-2,4,5,6-tetramine--hydrogen Chloride (1/2)

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 213.07 g/mol
    Molecular Formula C4H10Cl2N6
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area130
    Heavy Atom Count12
    Formal Charge0
    Complexity104
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3