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    CAS 75438-54-9

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 75438-54-9, 1-{2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1h-imidazol-1-yl}ethan-1-one, 1-[2-(4,6-dichloro-2-methylpyrimidin-5-ylamino)-4,5-dihydroimidazol-1-yl]ethanone, Gnf-pf-2007, 4,6-dichloro-2-methyl-5-(1-acetyl-2-imidazoline-2-yl)aminopyrimidine, 1-(2-((4,6-dichloro-2-methylpyrimidin-5-yl)amino)-4,5-dihydro-1h-imidazol-1-yl)ethan-1-one
    Molecular Formula
    C10H11Cl2N5O
    Molecular Weight
    288.13  g/mol
    InChI Key
    UPSZQCBUTUCGAR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
    2.1.2 InChI
    InChI=1S/C10H11Cl2N5O/c1-5-14-8(11)7(9(12)15-5)16-10-13-3-4-17(10)6(2)18/h3-4H2,1-2H3,(H,13,16)
    2.1.3 InChI Key
    UPSZQCBUTUCGAR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC(=C(C(=N1)Cl)NC2=NCCN2C(=O)C)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 75438-54-9

    2. 1-{2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1h-imidazol-1-yl}ethan-1-one

    3. 1-[2-(4,6-dichloro-2-methylpyrimidin-5-ylamino)-4,5-dihydroimidazol-1-yl]ethanone

    4. Gnf-pf-2007

    5. 4,6-dichloro-2-methyl-5-(1-acetyl-2-imidazoline-2-yl)aminopyrimidine

    6. 1-(2-((4,6-dichloro-2-methylpyrimidin-5-yl)amino)-4,5-dihydro-1h-imidazol-1-yl)ethan-1-one

    7. 1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone

    8. 1-(2-(4,6-dichloro-2-methylpyrimidin-5-ylamino)-4,5-dihydro-1h-imidazol-1-yl)ethanone

    9. Chembl602984

    10. Schembl2329456

    11. Bcp25233

    12. Mfcd04117980

    13. Stk996929

    14. Akos001832371

    15. Akos005640771

    16. Af-0055

    17. Ccg-133244

    18. 1-acetyl-n-(4,6-dichloro-2-methyl-5-pyrimidinyl)-4,5-dihydro-1h-imidazol-2-amine

    19. Ac-17777

    20. Cs-0108711

    21. Sr-01000485903

    22. J-502873

    23. Sr-01000485903-1

    24. 4,6-dichloro-2-methyl-5-(1-acetylimidazoline-2-yl-)aminopyrimidine

    25. 4,6-dichloro-2-methyl-5-(1-actyl-2-imidazoline-2yl)-amino Pyrimidine

    26. N-(1-acetylimidazolin-2-ylidene)-4,6-dichloro-2-methyl-5-pyrimidinamine

    27. 1-{(2e)-2-[(4,6-dichloro-2-methylpyrimidin-5-yl)imino]imidazolidin-1-yl}ethanone

    28. Ethanone,1-[2-[(4,6-dichloro-2-methyl-5-pyrimidinyl)amino]-4,5-dihydro-1h-imidazol-1-yl]-

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 288.13 g/mol
    Molecular Formula C10H11Cl2N5O
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area70.5
    Heavy Atom Count18
    Formal Charge0
    Complexity352
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1