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    CAS 34654-81-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 34654-81-4, 6-((3-chloropropyl)amino)-1,3-dimethylpyrimidine-2,4(1h,3h)-dione, 6-(3-chloropropylamino)-1,3-dimethyluracil, 6-(3-chloropropylamino)-1,3-dimethylpyrimidine-2,4-dione, 6-(3-chloropropyl)amino-1,3-dimethyl-2,4(1h,3h)pyrimidinedione, 6-((3-chloropropyl)amino)-1,3-dimethyluracil
    Molecular Formula
    C9H14ClN3O2
    Molecular Weight
    231.68  g/mol
    InChI Key
    RPYBDDBZRQGARJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-(3-chloropropylamino)-1,3-dimethylpyrimidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C9H14ClN3O2/c1-12-7(11-5-3-4-10)6-8(14)13(2)9(12)15/h6,11H,3-5H2,1-2H3
    2.1.3 InChI Key
    RPYBDDBZRQGARJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C(=CC(=O)N(C1=O)C)NCCCCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 34654-81-4

    2. 6-((3-chloropropyl)amino)-1,3-dimethylpyrimidine-2,4(1h,3h)-dione

    3. 6-(3-chloropropylamino)-1,3-dimethyluracil

    4. 6-(3-chloropropylamino)-1,3-dimethylpyrimidine-2,4-dione

    5. 6-(3-chloropropyl)amino-1,3-dimethyl-2,4(1h,3h)pyrimidinedione

    6. 6-((3-chloropropyl)amino)-1,3-dimethyluracil

    7. Mfcd00453355

    8. 6-(3-chloropropylamino)-1,3-dimethyl-2,4(1h,3h)-pyrimidinedione

    9. 2,4(1h,3h)-pyrimidinedione, 6-[(3-chloropropyl)amino]-1,3-dimethyl-

    10. Einecs 252-129-9

    11. 6-[(3-chloropropyl)amino]-1,3-dimethyl-2,4(1h,3h)-pyrimidinedione

    12. Schembl7793927

    13. Dtxsid20188213

    14. Amy15304

    15. Zinc21992329

    16. Akos015850609

    17. Sb60526

    18. As-12588

    19. Sy024580

    20. Cs-0158719

    21. Ft-0664937

    22. 6-(3-chloropropylamino)-1,3-dimethyl Uracil

    23. F15024

    24. 654c814

    25. A822332

    26. 6-(3-chloropropylamino)-1,3-dimethyl-pyrimidine-2,4-dione;6-((3-chloropropyl)amino)-1,3-dimethylpyrimidine-2,4(1h,3h)-dione

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 231.68 g/mol
    Molecular Formula C9H14ClN3O2
    XLogP30.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass231.0774544 g/mol
    Monoisotopic Mass231.0774544 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity304
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1