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    CAS 138588-40-6

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    CAS 138588-40-6
    Also known as: 138588-40-6, Pyrimidine-2-carboximidamide hydrochloride, 2-amidinopyrimidine, hcl, 2-pyrimidinecarboximidamide hydrochloride, Pyrimidine-2-carboximidamide;hydrochloride, 2-pyrimidinecarboximidamide, monohydrochloride
    Molecular Formula
    C5H7ClN4
    Molecular Weight
    158.59  g/mol
    InChI Key
    LZIYBABLVXXFGZ-UHFFFAOYSA-N
    1 2D Structure

    CAS 138588-40-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    pyrimidine-2-carboximidamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C5H6N4.ClH/c6-4(7)5-8-2-1-3-9-5;/h1-3H,(H3,6,7);1H
    2.1.3 InChI Key
    LZIYBABLVXXFGZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CN=C(N=C1)C(=N)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 138588-40-6

    2. Pyrimidine-2-carboximidamide Hydrochloride

    3. 2-amidinopyrimidine, Hcl

    4. 2-pyrimidinecarboximidamide Hydrochloride

    5. Pyrimidine-2-carboximidamide;hydrochloride

    6. 2-pyrimidinecarboximidamide, Monohydrochloride

    7. 2-pyrimidinecarboximidamide, Hydrochloride (1:1)

    8. Mfcd02677965

    9. Pyrimidine-2-carboxamidine Hydrochloride

    10. 2-amidinopyrimidinehydrochloride

    11. 2-amidino Pyrimidine Hydrochloride

    12. Pyrimidine2-carboxamidine Hcl

    13. Schembl628534

    14. Dtxsid30621166

    15. Bcp08838

    16. Cs-m1221

    17. Akos015844084

    18. Pyrimidin-2-carboxamidine Hydrochloride

    19. Ac-6946

    20. Ne-0702

    21. Sy101920

    22. Db-027710

    23. Methyl4-trifluoromethylbenzoylacetate

    24. Am20120505

    25. Ft-0600167

    26. En300-61410

    27. 588a406

    28. Pyrimidine-2-carboximidamide--hydrogen Chloride (1/1)

    29. F8889-9269

    30. Z992717154

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 158.59 g/mol
    Molecular Formula C5H7ClN4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass158.0359239 g/mol
    Monoisotopic Mass158.0359239 g/mol
    Topological Polar Surface Area75.6 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity106
    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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