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    R529

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    2D Structure
    Also known as: R529, R 529, R-529, 1294007-59-2, 2h-pyrido(3,2-b)-1,4-oxazin-3(4h)-one, 6-((5-fluoro-2-((4-hydroxy-3,5-dimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-, 6-((5-fluoro-2-((4-hydroxy-3,5-dimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-2h-pyrido(3,2-b)-1,4-oxazin-3(4h)-one
    Molecular Formula
    C21H21FN6O5
    Molecular Weight
    456.4  g/mol
    InChI Key
    RMDPXHNYYYEJFP-UHFFFAOYSA-N
    FDA UNII
    JR1IDX058G
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[[5-fluoro-2-(4-hydroxy-3,5-dimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
    2.1.2 InChI
    InChI=1S/C21H21FN6O5/c1-21(2)19(30)27-18-12(33-21)5-6-15(26-18)25-17-11(22)9-23-20(28-17)24-10-7-13(31-3)16(29)14(8-10)32-4/h5-9,29H,1-4H3,(H3,23,24,25,26,27,28,30)
    2.1.3 InChI Key
    RMDPXHNYYYEJFP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)O)OC)C
    2.2 Other Identifiers
    2.2.1 UNII
    JR1IDX058G
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. R529

    2. R 529

    3. R-529

    4. 1294007-59-2

    5. 2h-pyrido(3,2-b)-1,4-oxazin-3(4h)-one, 6-((5-fluoro-2-((4-hydroxy-3,5-dimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-

    6. 6-((5-fluoro-2-((4-hydroxy-3,5-dimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-2h-pyrido(3,2-b)-1,4-oxazin-3(4h)-one

    7. Unii-jr1idx058g

    2.4 Create Date
    2020-07-17
    3 Chemical and Physical Properties
    Molecular Weight 456.4 g/mol
    Molecular Formula C21H21FN6O5
    XLogP32.8
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area140
    Heavy Atom Count33
    Formal Charge0
    Complexity676
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1