HCID225212

n-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-cyanoacetamide

N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-cyanoacetamide

C9H11N5O3237.22 g/molCAS 5463-54-7

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IDENTITY

结构与身份

标准SMILES: Cn1c(N)c(NC(=O)CC#N)c(=O)n(C)c1=O
InChIKey: IAFPLSAVZUDFSX-UHFFFAOYSA-N
分子式: C9H11N5O3
平均分子量: 237.22 g/mol
单同位素质量: 237.08618923

COMPUTED

结构计算性质

等待补全

XLogP: -0.2
极性表面积: 120 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 472

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 8 条

5463-54-7n-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-cyanoacetamideNSC14366SCHEMBL11081671DTXSID30279863IAFPLSAVZUDFSX-UHFFFAOYSA-NNSC-143665-cyanoacetamido-6-amino-1,3-dimethyluracil

REACTIONS

相关反应

4 条

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

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uspto-grants-1984_05 · 10.6084/m9.figshare.5104873.v1 · US04451652

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uspto-grants-1984_05 · 10.6084/m9.figshare.5104873.v1 · US04451652

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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