8076-73-1 ((5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine)

快速询单

结构式：

5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamineMOL文件

CAS号：

8076-73-1

英文名称：

5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

分子式：

C₁₄H₁₈N₄O₃

分子量：

290.317722797394

5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine(8076-73-1)名称与标识符

名称

英文别名：

5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine;4-amino-N-(5-methyloxazol-3-yl)benzenesulfonamide;

标识符

InChIKey：

IEDVJHCEMCRBQM-UHFFFAOYSA-N

Inchi：

1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)

SMILES：

C1(N)=NC=C(CC2=CC(OC)=C(OC)C(OC)=C2)C(N)=N1

5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine(8076-73-1)物化性质

计算特性

精确分子量 : 543.19
氢键供体数量 : 4
氢键受体数量 : 13
可旋转化学键数量 : 8
同位素质量 : 543.19
重原子数量 : 38
复杂度 : 653
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 : 2
拓扑分子极性表面积 : 212A^2

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8076-73-1 ((5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine)

5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine(8076-73-1)名称与标识符

名称

标识符

5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine(8076-73-1)物化性质

计算特性

5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine(8076-73-1)相关文献

目录