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    Revaprazan

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    MARKET PLACE

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    2D Structure
    Also known as: 199463-33-7, Revaprazan [inn], N-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydroisoquinolin-2(1h)-yl)pyrimidin-2-amine, Yh-1885 free base, 199463-33-7 (free base), Sb-641257
    Molecular Formula
    C22H23FN4
    Molecular Weight
    362.4  g/mol
    InChI Key
    LECZXZOBEZITCL-UHFFFAOYSA-N
    FDA UNII
    5P184180P5
    Revaprazan is under investigation in clinical trial NCT01750437 (Phase 2 Clinical Trial to Investigate the Safety, Tolerability and Efficacy of YH1885L in Patients With Non-erosive Reflux Disease(nerd)).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
    2.1.2 InChI
    InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)
    2.1.3 InChI Key
    LECZXZOBEZITCL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1C2=CC=CC=C2CCN1C3=NC(=NC(=C3C)C)NC4=CC=C(C=C4)F
    2.2 Other Identifiers
    2.2.1 UNII
    5P184180P5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5,6-dimethyl-2-(4-fluorophenylamino)-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine

    2. Revaprazan Hydrochloride

    3. Yh 1885

    4. Yh-1885

    2.3.2 Depositor-Supplied Synonyms

    1. 199463-33-7

    2. Revaprazan [inn]

    3. N-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydroisoquinolin-2(1h)-yl)pyrimidin-2-amine

    4. Yh-1885 Free Base

    5. 199463-33-7 (free Base)

    6. Sb-641257

    7. 5p184180p5

    8. Unii-5p184180p5

    9. Revaprazan [mi]

    10. Sb 641257

    11. Revaprazan [mart.]

    12. N-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1h-isoquinolin-2-yl)pyrimidin-2-amine

    13. Revaprazan [who-dd]

    14. Schembl2194461

    15. Chembl1618279

    16. Gtpl12007

    17. Dtxsid10870216

    18. Chebi:135529

    19. Ex-a5099

    20. Ncgc00408843-01

    21. 4-(3,4-dihydro-1-methyl-2(1h)-isoquinolinyl)-n-(4-fluorophenyl)-5,6-dimethyl-2-pyrimidinamine

    22. 5,6-dimethyl-2-(4-fluorophenylamino)-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine

    23. N-(4-fluorophenyl)-4,5-dimethyl-6-[(1s)-1-methyl-3,4-dihydro-1h-isoquinolin-2-yl]pyrimidin-2-amine

    24. Hy-121851

    25. Cs-0083547

    26. Q16801000

    27. 5,6-dimethyl-2-(4-fluorophenylamino)-4-(1-methyl- 1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine

    28. 5,6-dimethyl-2-(4-fluorophenylamino)-4-(1-methyl-1,2,3,4-tetrahydro-isoquinolin-2-yl) Pyrimidine

    29. 5,6-dimethyl-2-(4-fluorophenylamino)-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-pyrimidine

    30. N-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-2(1h)-isoquinolinyl)-2-pyrimidinamine

    31. N-(4-fluorophenyl)-5,6-dimethyl-4-((1rs)-1-methyl-3,4-dihydroisoquinolin-2(1h)-yl)pyrimidin-2-amine

    32. N-(4-fluorophenyl)-5,6-dimethyl-4-(1-methyl-3,4-dihydroisoquinolin-2(1h)-yl)pyrimidin-2-amine, (+/-)-

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 362.4 g/mol
    Molecular Formula C22H23FN4
    XLogP35.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass362.19067491 g/mol
    Monoisotopic Mass362.19067491 g/mol
    Topological Polar Surface Area41 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity481
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1