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    CAS 125092-42-4

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    CAS 125092-42-4
    Also known as: 125092-42-4, 6-amino-1-methyl-5-(propylamino)uracil, 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione, 6-amino-5-propylamino-1-methyluracil, 2,4(1h,3h)-pyrimidinedione,6-amino-1-methyl-5-(propylamino)-, Dtxsid70559939
    Molecular Formula
    C8H14N4O2
    Molecular Weight
    198.22  g/mol
    InChI Key
    PXXPWRGFQVGQAZ-UHFFFAOYSA-N
    1 2D Structure

    CAS 125092-42-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C8H14N4O2/c1-3-4-10-5-6(9)12(2)8(14)11-7(5)13/h10H,3-4,9H2,1-2H3,(H,11,13,14)
    2.1.3 InChI Key
    PXXPWRGFQVGQAZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCNC1=C(N(C(=O)NC1=O)C)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 125092-42-4

    2. 6-amino-1-methyl-5-(propylamino)uracil

    3. 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione

    4. 6-amino-5-propylamino-1-methyluracil

    5. 2,4(1h,3h)-pyrimidinedione,6-amino-1-methyl-5-(propylamino)-

    6. Dtxsid70559939

    7. Mfcd01074825

    8. Zinc37486424

    9. Akos008962125

    10. Sb55600

    11. As-71163

    12. Cs-0256311

    13. Ft-0620928

    14. T70174

    15. 6-amino-1-methyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 198.22 g/mol
    Molecular Formula C8H14N4O2
    XLogP3-0.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass198.11167570 g/mol
    Monoisotopic Mass198.11167570 g/mol
    Topological Polar Surface Area87.5 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity298
    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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