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    Technical details about CAS 171887-03-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 171887-03-9

    BUILDING BLOCK

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    2D Structure
    Also known as: 171887-03-9, N-(2-amino-4,6-dichloro-5-pyrimidinyl)formamide, N-(2-amino-4,6-dichloropyrimidine-5-yl)formamide, 2-amino-4,6-dichloro-5-formamidopyrimidine, Mfcd04112936, Formamide, n-(2-amino-4,6-dichloro-5-pyrimidinyl)-
    Molecular Formula
    C5H4Cl2N4O
    Molecular Weight
    207.01  g/mol
    InChI Key
    XYWHZUCZNRMJGO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
    2.1.2 InChI
    InChI=1S/C5H4Cl2N4O/c6-3-2(9-1-12)4(7)11-5(8)10-3/h1H,(H,9,12)(H2,8,10,11)
    2.1.3 InChI Key
    XYWHZUCZNRMJGO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(=O)NC1=C(N=C(N=C1Cl)N)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 171887-03-9

    2. N-(2-amino-4,6-dichloro-5-pyrimidinyl)formamide

    3. N-(2-amino-4,6-dichloropyrimidine-5-yl)formamide

    4. 2-amino-4,6-dichloro-5-formamidopyrimidine

    5. Mfcd04112936

    6. Formamide, N-(2-amino-4,6-dichloro-5-pyrimidinyl)-

    7. Ec 425-650-6

    8. Schembl536664

    9. Dtxsid30436651

    10. Act01425

    11. Bcp22646

    12. Zinc2526849

    13. Bbl030214

    14. Stl242902

    15. 2,5-diamino-4,6-dichloroformamidohcl

    16. Akos015854991

    17. Ac-1437

    18. Am84604

    19. Cs-w015293

    20. Sb60473

    21. As-15705

    22. Sy030956

    23. Db-043875

    24. Ft-0643648

    25. 2-amino-4,6-dichloro-5-formamido Pyrimidine

    26. N-(2-amino-4,6-dichloro-5-primidinyl)formamide

    27. N-(2-amino-4,6-dichloro-5-pyrimdinyl)formamide

    28. N-(2-amino-4,6-dichloro-5-pyrmidinyl)formamide

    29. N-(2-amino-4,6dichloro-5-pyrimidinyl)formamide

    30. 887a039

    31. A811363

    32. N-(2-amino-4,6-dichloro-5-pyrimidinyl) Formamide

    33. N-(2-amino-4,6-dichloro-pyrimidin-5-yl)-formamide

    34. N-(2-amino-4,6-dichloropyrimidin-5-yl)-formamide

    35. 4h-1-benzopyran-4-one-2,3-dihydro-7-hydroxy-(9ci)

    36. N-[2-azanyl-4,6-bis(chloranyl)pyrimidin-5-yl]methanamide

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 207.01 g/mol
    Molecular Formula C5H4Cl2N4O
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass205.9762162 g/mol
    Monoisotopic Mass205.9762162 g/mol
    Topological Polar Surface Area80.9 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity158
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1