HCID204104

Revaprazan

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

C22H23FN4362.4 g/molCAS 199463-33-7

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IDENTITY

结构与身份

标准SMILES: Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C
InChIKey: LECZXZOBEZITCL-UHFFFAOYSA-N
分子式: C22H23FN4
平均分子量: 362.4 g/mol
单同位素质量: 362.19067491

COMPUTED

结构计算性质

已同步

XLogP: 5.3
极性表面积: 41.1 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 3
重原子: 27
形式电荷: 0
复杂度: 481

ALIASES

名称与别名

共 51 条

Revaprazan199463-33-7RevanexYH-1885 FREE BASESB-6412575P184180P5REVAPRAZANUMRefChem:179017Revaprazan [INN]N-(4-Fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-amine4-(3,4-dihydro-1-methyl-2(1h)-isoquinolinyl)-n-(4-fluorophenyl)-5,6-dimethyl-2-pyrimidinamineN-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amineN-(4-FLUOROPHENYL)-4,5-DIMETHYL-6-[(1S)-1-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL]PYRIMIDIN-2-AMINEUNII-5P184180P5199463-33-7 (free base)MFCD26405757REVAPRAZAN [MI]SB 641257REVAPRAZAN [MART.]REVAPRAZAN [WHO-DD]

REACTIONS

参与反应

17 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID283457

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为产物、反应物

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID319259

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为产物、反应物

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID693592

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为产物、反应物

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID1069412

uspto-grants-2001_06

作为反应物