HCID12777819

2-Chloro-9-(tetrahydropyran-2-yl)adenine

2-chloro-9-(oxan-2-yl)purin-6-amine

C10H12ClN5O253.69 g/molCAS 77111-77-4

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IDENTITY

结构与身份

标准SMILES: Nc1nc(Cl)nc2c1ncn2C1CCCCO1
InChIKey: IZHATATVLOKVET-UHFFFAOYSA-N
分子式: C10H12ClN5O
平均分子量: 253.69 g/mol
单同位素质量: 253.0730377

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 78.9 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 1
重原子: 17
形式电荷: 0
复杂度: 281

ALIASES

名称与别名

共 23 条

77111-77-42-Chloro-9-(tetrahydropyran-2-yl)adenine2-CHLORO-9-(TETRAHYDRO-2H-PYRAN-2-YL)-9H-PURIN-6-AMINEMFCD129642782-CHLORO-9-(OXAN-2-YL)PURIN-6-AMINE2-Chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine;2-Chloro-9-(oxan-2-yl)-9H-purin-6-amineSCHEMBL243515SCHEMBL29354479DTXSID30509617IZHATATVLOKVET-UHFFFAOYSA-N2-Chloro-9-tetrahydropyranyladenineAKOS025402681SY258331WS-01542CS-01552452-chloro-9-tetrahydropyran-2-yl-purin-6-amineF304189A1-03332F1911-3045

REACTIONS

参与反应

83 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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

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uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09346806B2

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