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    Technical details about CAS IN12840705, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS IN12840705

    BUILDING BLOCK

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    2D Structure
    Also known as: 33386-20-8, 4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine, 4-(4-(pyrimidin-2-yl)piperazin-1-yl)butan-1-amine, 4-(aminobutyl)-1-(2-pyrimidinyl)-piperazine, Schembl4447104, Dtxsid10511192
    Molecular Formula
    C12H21N5
    Molecular Weight
    235.33  g/mol
    InChI Key
    YDQAUSHJSHIVAD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
    2.1.2 InChI
    InChI=1S/C12H21N5/c13-4-1-2-7-16-8-10-17(11-9-16)12-14-5-3-6-15-12/h3,5-6H,1-2,4,7-11,13H2
    2.1.3 InChI Key
    YDQAUSHJSHIVAD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1CCCCN)C2=NC=CC=N2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 33386-20-8

    2. 4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine

    3. 4-(4-(pyrimidin-2-yl)piperazin-1-yl)butan-1-amine

    4. 4-(aminobutyl)-1-(2-pyrimidinyl)-piperazine

    5. Schembl4447104

    6. Dtxsid10511192

    7. Ydqaushjshivad-uhfffaoysa-n

    8. Mfcd00209912

    9. Akos000156274

    10. Mb00926

    11. Cs-0217160

    12. Ft-0738753

    13. 1-(4-aminobutyl)-4-(2-pyrimidyl)piperazine

    14. 2-[4(4-aminobutyl)-1-piperazinyl]pyrimidine

    15. En300-69631

    16. 1-(4-aminobutyl)-4-(2-pyrimidinyl)piperazine

    17. F14702

    18. 1-(4-aminobutyl)-4-(2-pyrimidinyl) Piperazine

    19. 1-(4-aminobutyl)-4-(2-pyrimidinyl)-piperazine

    20. A913334

    21. 1-(2-pyrimidinyl)-4-(4-aminobutyl)piperazine

    22. Z285207400

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 235.33 g/mol
    Molecular Formula C12H21N5
    XLogP30.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area58.3
    Heavy Atom Count17
    Formal Charge0
    Complexity197
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1