HCID3018360

5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one

N-[5-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyrimidin-2-yl]nitramide

C11H11N5O3261.24 g/molCAS 72716-93-9

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(Cc2cnc(N[N+](=O)[O-])[nH]c2=O)cn1
InChIKey: KWBSLRQDOHBJPQ-UHFFFAOYSA-N
分子式: C11H11N5O3
平均分子量: 261.24 g/mol
单同位素质量: 261.08618923

COMPUTED

结构计算性质

等待补全

XLogP: 1.1
极性表面积: 112 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 440

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 15 条

72716-93-9EINECS 276-781-95-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-oneSCHEMBL10620753SCHEMBL10655828DTXSID309935322-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4(1H)-pyrimidoneNS000620552-nitroamino-5-(6-methyl-3-pyridyl)methyl-4-pyrimidone2-nitroamino-5-(6-methyl-3-pyridylmethyl)-4-pyrimidone2-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4-pyrimidone2-nitroamino-5-(6-methylpyrid-3-ylmethyl)pyrimid-4-one2-nitroamino-5-(6-methylpyrid-3ylmethyl)-4-pyrimidone2 -nitroamino-5-(6-methyl-3-pyridylmethyl)-4-pyrimidoneN-{4-Hydroxy-5-[(6-methylpyridin-3-yl)methyl]pyrimidin-2-yl}nitramide

REACTIONS

参与反应

57 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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uspto-grants-1980_11 · 10.6084/m9.figshare.5104873.v1 · US04234588

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uspto-grants-1980_11 · 10.6084/m9.figshare.5104873.v1 · US04234588

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

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