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    Chemistry

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    Also known as: 412003-95-3, 2,4-dimethyl-5-pyrimidinol, 5-pyrimidinol, 2,4-dimethyl- (9ci), 2,4-dimethylpyrimidine-5-ol, 5-pyrimidinol, 2,4-dimethyl-, Schembl2118864
    Molecular Formula
    C6H8N2O
    Molecular Weight
    124.14  g/mol
    InChI Key
    NJRAXBYJSOFRQV-UHFFFAOYSA-N
    CAS 412003-95-3
    1 2D Structure

    CAS 412003-95-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,4-dimethylpyrimidin-5-ol
    2.1.2 InChI
    InChI=1S/C6H8N2O/c1-4-6(9)3-7-5(2)8-4/h3,9H,1-2H3
    2.1.3 InChI Key
    NJRAXBYJSOFRQV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC(=NC=C1O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 412003-95-3

    2. 2,4-dimethyl-5-pyrimidinol

    3. 5-pyrimidinol, 2,4-dimethyl- (9ci)

    4. 2,4-dimethylpyrimidine-5-ol

    5. 5-pyrimidinol, 2,4-dimethyl-

    6. Schembl2118864

    7. Dtxsid50663881

    8. 5-hydroxy-2,4-dimethylpyrimidine

    9. 5-pyrimidinol,2,4-dimethyl-(9ci)

    10. Mfcd18072447

    11. Zinc39052229

    12. Akos015999655

    13. Cs-w005733

    14. Sb13148

    15. Am803873

    16. Ds-17897

    17. Db-070148

    18. Ft-0729799

    19. J3.610.407d

    20. A873116

    2.3 Create Date
    2010-03-30
    3 Chemical and Physical Properties
    Molecular Weight 124.14 g/mol
    Molecular Formula C6H8N2O
    XLogP30.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass124.063662883 g/mol
    Monoisotopic Mass124.063662883 g/mol
    Topological Polar Surface Area46 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity97.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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