63732-03-6 (3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1H-pyrimidine-2-thione,3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1h-pyrimidine-2-thione)

CAS号:
63732-03-6
中文名称:
3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1H-pyrimidine-2-thione
英文名称:
3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1h-pyrimidine-2-thione
分子式:
C15H21N3S
分子量:
275.412341833115

3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1H-pyrimidine-2-thione(63732-03-6)名称与标识符

名称

中文别名:
3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1H-pyrimidine-2-thione;
英文别名:
3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1h-pyrimidine-2-thione;NSC49833;MLS002667316;USAF K-1355;NSC 49833;1-(p-(Dimethylamino)phenyl)-2-thio-4,4,6-trimethyl dihydropyrimidine;2-Pyrimidinethiol, 3,4-dihydro-1-(4-dimethylaminophenyl)-4,4,6-trimethyl-;AC1MHF4X;HMS3079G12;NSC-49833;NSC49833; MLS002667316; USAF K-1355; NSC 49833; 1-(p-(Dimethylamino)phenyl)-2-thio-4,4,6-trimethyl dihydropyrimidine; 2-Pyrimidinethiol, 3,4-dihydro-1-(4-dimethylaminophenyl)-4,4,6-trimethyl-; AC1MHF4X; HMS3079G12; NSC-49833;;3-(4-dimethylaminophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione;UNII-4CCL0P3XIK;3,4-Dihydro-1-(4-dimethylaminophenyl)-4,4,6-trimethyl-2-pyrimidinethiol;2(1H)-Pyrimidinethione,1-[4-(dimethylamino)phenyl]-3,4-dihydro-4,4,6-trimethyl-;63732-03-6;CHEMBL1872087;2(1H)-Pyrimidinethione, 1-[4-(dimethylamino)phenyl]-3,4-dihydro-4,4,6-trimethyl-;4CCL0P3XIK;SMR001557084;DTXSID00213158;2(1H)-PYRIMIDINETHIONE, 1-(4-(DIMETHYLAMINO)PHENYL)-3,4-DIHYDRO-4,4,6-TRIMETHYL-;

标识符

InChIKey:
GEBOTSFFGIIAOU-UHFFFAOYSA-N
Inchi:
1S/C15H21N3S/c1-11-10-15(2,3)16-14(19)18(11)13-8-6-12(7-9-13)17(4)5/h6-10H,1-5H3,(H,16,19)
SMILES:
S=C1N(C2C=CC(=CC=2)N(C)C)C(C)=CC(C)(C)N1

3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1H-pyrimidine-2-thione(63732-03-6)物化性质

实验特性

  • LogP : 3.52330
  • PSA : 18.51

计算特性

  • 精确分子量 : 275.14583
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 275.14561886g/mol
  • 重原子数量 : 19
  • 复杂度 : 379
  • 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) : 2.8
  • 拓扑分子极性表面积 : 50.6Ų