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    Technical details about CAS 733039-20-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 733039-20-8

    BUILDING BLOCK

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    2D Structure
    Also known as: 733039-20-8, 5-bromo-2-chloro-n-cyclopentyl-4-pyrimidinamine, 4-pyrimidinamine, 5-bromo-2-chloro-n-cyclopentyl-, Mfcd13181206, 4-pyrimidinamine,5-bromo-2-chloro-n-cyclopentyl-, (5-bromo-2-chloro-pyrimidin-4-yl)-cyclopentyl-amine
    Molecular Formula
    C9H11BrClN3
    Molecular Weight
    276.56  g/mol
    InChI Key
    DIVUXBABVYOIOT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromo-2-chloro-N-cyclopentylpyrimidin-4-amine
    2.1.2 InChI
    InChI=1S/C9H11BrClN3/c10-7-5-12-9(11)14-8(7)13-6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,14)
    2.1.3 InChI Key
    DIVUXBABVYOIOT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(C1)NC2=NC(=NC=C2Br)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 733039-20-8

    2. 5-bromo-2-chloro-n-cyclopentyl-4-pyrimidinamine

    3. 4-pyrimidinamine, 5-bromo-2-chloro-n-cyclopentyl-

    4. Mfcd13181206

    5. 4-pyrimidinamine,5-bromo-2-chloro-n-cyclopentyl-

    6. (5-bromo-2-chloro-pyrimidin-4-yl)-cyclopentyl-amine

    7. Schembl1976634

    8. Amy1829

    9. Dtxsid90658034

    10. Bcp13300

    11. Cs-b0327

    12. Zinc84193554

    13. Akos016007220

    14. Sb60529

    15. Ac-30131

    16. Ds-17737

    17. Sy061054

    18. Ft-0697065

    19. (5-bromo-2-chloro-pyrimidin-4-yl)cyclopentylamine

    20. A866108

    21. N-cyclopentyl-2-chloro-5-bromopyrimidine-4-amine

    22. (5-bromo-2-chloro Pyrimidin-4-yl)-cyclopentyl-amine

    23. 5-bromo-2-chloro-n-cyclopentylpyrimidin-4-amine, Aldrichcpr

    2.3 Create Date
    2009-11-09
    3 Chemical and Physical Properties
    Molecular Weight 276.56 g/mol
    Molecular Formula C9H11BrClN3
    XLogP33.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass274.98249 g/mol
    Monoisotopic Mass274.98249 g/mol
    Topological Polar Surface Area37.8 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity187
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1