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    CAS 95306-64-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 95306-64-2, 4-amino-2-hydroxy-5-methylpyridine, 4-amino-5-methylpyridin-2(1h)-one, 4-amino-5-methyl-2(1h)-pyridinone, 4-amino-5-methyl-1h-pyridin-2-one, Mfcd12546373
    Molecular Formula
    C6H8N2O
    Molecular Weight
    124.14  g/mol
    InChI Key
    SSQZBQXJYGNUSC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-5-methyl-1H-pyridin-2-one
    2.1.2 InChI
    InChI=1S/C6H8N2O/c1-4-3-8-6(9)2-5(4)7/h2-3H,1H3,(H3,7,8,9)
    2.1.3 InChI Key
    SSQZBQXJYGNUSC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CNC(=O)C=C1N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 95306-64-2

    2. 4-amino-2-hydroxy-5-methylpyridine

    3. 4-amino-5-methylpyridin-2(1h)-one

    4. 4-amino-5-methyl-2(1h)-pyridinone

    5. 4-amino-5-methyl-1h-pyridin-2-one

    6. Mfcd12546373

    7. 2(1h)-pyridinone, 4-amino-5-methyl-

    8. Ec 682-818-3

    9. 4-amino-5-methyl-2-pyridone

    10. Schembl2460386

    11. Schembl18799988

    12. Dtxsid00535408

    13. Ssqzbqxjygnusc-uhfffaoysa-n

    14. Amy18314

    15. Akos006337543

    16. Akos016013177

    17. Cs-w022074

    18. Sb52253

    19. Ac-30730

    20. As-47625

    21. Sy020547

    22. Db-082695

    23. Ns00004169

    24. F14705

    25. En300-1294933

    26. A859093

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 124.14 g/mol
    Molecular Formula C6H8N2O
    XLogP3-0.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area55.1
    Heavy Atom Count9
    Formal Charge0
    Complexity203
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1