N-(4-Bromo-2,6-dichloro-phenyl)-N'-cyclopropylmethyl-2-methyl-N'-propyl-pyrimidine-4,6-diamine | 336194-96-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-Bromo-2,6-dichloro-phenyl)-N'-cyclopropylmethyl-2-methyl-N'-propyl-pyrimidine-4,6-diamine
• 英文别名: 6-N-(4-bromo-2,6-dichlorophenyl)-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine
• CAS: 336194-96-8
• 化学式: C₁₈H₂₁BrCl₂N₄
• 分子量: 444.202
• InChiKey: KGZVNAFSHWUHLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  41
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(4-Bromo-2,6-dichloro-phenyl)-N'-cyclopropylmethyl-2-methyl-N'-propyl-pyrimidine-4,6-diamine 在 N-氯代丁二酰亚胺 作用下， 以 氯仿 为溶剂， 生成 N-(4-Bromo-2,6-dichloro-phenyl)-5-chloro-N'-cyclopropylmethyl-2-methyl-N'-propyl-pyrimidine-4,6-diamine
  参考文献：
  名称：

  The development of a potential single photon emission computed tomography (SPECT) imaging agent for the corticotropin-releasing hormone receptor type 1

  摘要：

  A high-affinity radioligand for CRHR1 has been prepared that can serve as a template For the development of SPECT imaging agents. The 5-chloro-N-cyclopropylmethyl-N-(2,6-dichloro-4-iodophenyl)-2-methyl-N-propylpyrimidine-4,6-diamine (6b, K-i= 14 nM). and the corresponding 4-bromophenyl analogue (6a, K-i = 21 nM), were synthesized in four steps from compound 3. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(00)00661-2
• 作为产物：
  描述：

  4-溴-2,6-二氯苯胺 在 sodium hydride 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 生成 N-(4-Bromo-2,6-dichloro-phenyl)-N'-cyclopropylmethyl-2-methyl-N'-propyl-pyrimidine-4,6-diamine
  参考文献：
  名称：

  The development of a potential single photon emission computed tomography (SPECT) imaging agent for the corticotropin-releasing hormone receptor type 1

  摘要：

  A high-affinity radioligand for CRHR1 has been prepared that can serve as a template For the development of SPECT imaging agents. The 5-chloro-N-cyclopropylmethyl-N-(2,6-dichloro-4-iodophenyl)-2-methyl-N-propylpyrimidine-4,6-diamine (6b, K-i= 14 nM). and the corresponding 4-bromophenyl analogue (6a, K-i = 21 nM), were synthesized in four steps from compound 3. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(00)00661-2