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    Tolimidone

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    DIGITAL CONTENT

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    2D Structure
    Also known as: 41964-07-2, Mlr-1023, Cp-26154, 5-(m-tolyloxy)pyrimidin-2(1h)-one, Mlr 1023, 5-(3-methylphenoxy)-2(1h)-pyrimidinone
    Molecular Formula
    C11H10N2O2
    Molecular Weight
    202.21  g/mol
    InChI Key
    HJQILFPVRNHTIG-UHFFFAOYSA-N
    FDA UNII
    MU3JD8E9IS
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(3-methylphenoxy)-1H-pyrimidin-2-one
    2.1.2 InChI
    InChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)
    2.1.3 InChI Key
    HJQILFPVRNHTIG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CC=C1)OC2=CNC(=O)N=C2
    2.2 Other Identifiers
    2.2.1 UNII
    MU3JD8E9IS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-(3-methylphenoxy)-2(1h)-pyrimidinone

    2. Mlr-1023

    2.3.2 Depositor-Supplied Synonyms

    1. 41964-07-2

    2. Mlr-1023

    3. Cp-26154

    4. 5-(m-tolyloxy)pyrimidin-2(1h)-one

    5. Mlr 1023

    6. 5-(3-methylphenoxy)-2(1h)-pyrimidinone

    7. 5-(3-methylphenoxy)-1h-pyrimidin-2-one

    8. 2(1h)-pyrimidinone, 5-(3-methylphenoxy)-

    9. Cp-26,154

    10. Mlr-1003

    11. Mu3jd8e9is

    12. Nsc-314335

    13. Tolimidone (usan)

    14. Nsc 314335

    15. Cp 26154

    16. Tolimidone [usan]

    17. Tolimidone [usan:inn]

    18. Unii-mu3jd8e9is

    19. Tolimidone [inn]

    20. Chembl8030

    21. Tolimidone (mlr-1023)

    22. Tolimidone [who-dd]

    23. Mls006012600

    24. Schembl637505

    25. Gtpl9433

    26. Schembl21168610

    27. Dtxsid50194786

    28. Hms3749i15

    29. Bcp06813

    30. Ex-a1338

    31. Bdbm50545405

    32. Mfcd00866900

    33. Nsc314335

    34. S8321

    35. Zinc17120697

    36. 5-(m-tolyloxy)-2(1h)-pyrimidinone

    37. Akos000282153

    38. Ccg-266597

    39. Cs-7936

    40. Sb17288

    41. Ncgc00370768-01

    42. Ncgc00370768-04

    43. As-16416

    44. Hy-59047

    45. Smr004704144

    46. 5-(3-methylphenoxy)- 2(1h)-pyrimidinone

    47. Mlr-1023, >=98% (hplc)

    48. D06182

    49. A899682

    50. Q7814266

    51. Cp 26154; Nsc 314335; 5-(3-methylphenoxy)-2(1h)-pyrimidinone;mlr 1023

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 202.21 g/mol
    Molecular Formula C11H10N2O2
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass202.074227566 g/mol
    Monoisotopic Mass202.074227566 g/mol
    Topological Polar Surface Area50.7 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity310
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1