7135-09-3 ((2(1H)-Pyrimidinone,4,6-dimethyl-, (4,6-dimethyl-2-pyrimidinyl)hydrazone (9CI))

CAS号:
7135-09-3
英文名称:
2(1H)-Pyrimidinone,4,6-dimethyl-, (4,6-dimethyl-2-pyrimidinyl)hydrazone (9CI)
分子式:
C12H16N6
分子量:
244.295640945435

2(1H)-Pyrimidinone,4,6-dimethyl-, (4,6-dimethyl-2-pyrimidinyl)hydrazone (9CI)(7135-09-3)名称与标识符

名称

英文别名:
2(1H)-Pyrimidinone,4,6-dimethyl-, (4,6-dimethyl-2-pyrimidinyl)hydrazone (9CI);AR-1D1726; NCIOpen2_006067; 1,2-Bis-< 4,6-dimethylpyrimidyl-(2)> -hydrazin; NSC93473; CTK5D3914; 4,6,4',6'-Tetramethyl-2,2'-hydrazo-pyrimidin; 4,6,4',6'-tetramethyl-2,2'-diazane-1,2-diyl-bis-pyrimidine; N,N'-bis-(4,6-dimethyl-pyrimidin-2-yl)-hydrazine; AC1L65AM; N,N'-Bis-(4,6-dimethyl-pyrimidin-2-yl)-hydrazin; 1,2-bis(4,6-dimethyl-pyrimidin-2-yl)-hydrazine; AC1Q4VM5; 2,2'-hydrazine-1,2-diylbis(4,6-dimethylpyrimidine);;NSC-93473;1,2-bis(4,6-dimethylpyrimidin-2-yl)hydrazine;DTXSID70294015;SR-01000319820;7135-09-3;NSC93473;NCIOpen2_006067;1,2-bis(4,6-dimethyl-pyrimidin-2-yl)-hydrazine;SR-01000319820-1;2-[2-(4,6-dimethyl-2-pyrimidinyl)hydrazino]-4,6-dimethylpyrimidine;AKOS015917129;2,2'-hydrazine-1,2-diylbis(4,6-dimethylpyrimidine);

标识符

InChIKey:
QLZOKOHFIDPNDP-UHFFFAOYSA-N
Inchi:
1S/C12H16N6/c1-7-5-8(2)14-11(13-7)17-18-12-15-9(3)6-10(4)16-12/h5-6H,1-4H3,(H,13,14,17)(H,15,16,18)
SMILES:
N(C1=NC(C)=CC(C)=N1)NC1=NC(C)=CC(C)=N1

2(1H)-Pyrimidinone,4,6-dimethyl-, (4,6-dimethyl-2-pyrimidinyl)hydrazone (9CI)(7135-09-3)物化性质

实验特性

  • LogP : 0.78300
  • PSA : 75.62

计算特性

  • 精确分子量 : 244.14388
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 3
  • 同位素质量 : 244.14364454g/mol
  • 重原子数量 : 18
  • 复杂度 : 215
  • 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) : 2.6
  • 拓扑分子极性表面积 : 75.6Ų