254-64-8 ((8CI,9CI)-嘧啶并[4,5-d]嘧啶,Pyrimido[4,5-d]pyrimidine)

快速询单

结构式：

(8CI,9CI)-嘧啶并[4,5-d]嘧啶MOL文件

CAS号：

254-64-8

中文名称：

(8CI,9CI)-嘧啶并[4,5-d]嘧啶

英文名称：

Pyrimido[4,5-d]pyrimidine

分子式：

C₆H₄N₄

分子量：

132.122759819031

(8CI,9CI)-嘧啶并[4,5-d]嘧啶(254-64-8)名称与标识符

名称

中文别名：

(8CI,9CI)-嘧啶并[4,5-d]嘧啶;

英文别名：

Pyrimido[4,5-d]pyrimidine;1,3,6,8-Tetraazanaphthalene;AKOS006371474;SCHEMBL140301;DTXSID80620604;254-64-8;

标识符

InChIKey：

QGDYVSSVBYMOJN-UHFFFAOYSA-N

Inchi：

1S/C6H4N4/c1-5-2-8-4-10-6(5)9-3-7-1/h1-4H

SMILES：

N1C=NC=C2C=NC=NC=12

(8CI,9CI)-嘧啶并[4,5-d]嘧啶(254-64-8)物化性质

实验特性

PSA : 51.56

计算特性

精确分子量 : 132.04372
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 0
同位素质量 : 132.043596145g/mol
重原子数量 : 10
复杂度 : 104
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.2
拓扑分子极性表面积 : 51.6Å²

(8CI,9CI)-嘧啶并[4,5-d]嘧啶(254-64-8)相关文献

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