2-[4-(3-cyano-2-pyridylcarbonyl)-1-piperazinyl]-4-ethoxypyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-[4-(3-cyano-2-pyridylcarbonyl)-1-piperazinyl]-4-ethoxypyrimidine
• 英文别名: 2-[4-(3-cyano-pyridin-2-ylcarbonyl)-1-piperazinyl]-4-ethoxypyrimidine；2-[4-(4-Ethoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-3-carbonitrile
• 化学式: C₁₇H₁₈N₆O₂
• 分子量: 338.369
• InChiKey: YRLGFYYYQSKRDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  95.2
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• New derivatives of cyano-aryl (or cyanoheteroaryl) -carbonyl- piperazinyl - pyrimidines, their preparation and application as medication
  申请人：——

  公开号：US20040048872A1

  公开（公告）日：2004-03-11

  New derivatives of cyanoaryl (or cyanoheteroaryl)-carbonyl-piperazinyl-pyrimidines (I), where R 1 represents an OR 3 radical, where R 3 represents a radical derived from a saturated hydrocarbon, with a linear or branched chain of 1 to 4 carbon atoms, and R 2 represents a phenyl radical substituted at least by one cyan radical (—C≡N), or a radical of a heteroaromatic ring of 5 or 6 members substituted at least by one cyan radical (—C≡N); and their physiologically acceptable salts, are useful for application in human and/or veterinary therapeutics as sedatives, anticonvulsants, hypnotics and general anaesthetics. 1

  新的氰基芳基（或氰基杂芳基）-羰基哌嗪嘧啶（I）的衍生物，其中R1代表一个OR3基团，其中R3代表来自饱和碳氢化合物的基团，具有1至4个碳原子的直链或支链，R2代表至少被一个氰基（-C≡N）取代的苯基基团，或者是至少被一个氰基（-C≡N）取代的5或6元杂芳环的基团；以及它们的生理上可接受的盐，可用于人类和/或兽医治疗中作为镇静剂，抗惊厥剂，催眠剂和全身麻醉剂。
• NEW DERIVATIVES OF CYANO-ARYL (OR CYANOHETEROARYL)-CARBONYL-PIPERAZINYL-PYRIMIDINES, THEIR PREPARATION AND APPLICATION AS MEDICATION
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1327630A1

  公开（公告）日：2003-07-16

  New derivatives of cyanoaryl (or cyanoheteroaryl)-carbonyl-piperazinyl-pyrimidines (I), wherein R1 represents an OR3 radical, wherein R3 represents a radical derived from a saturated hydrocarbon, with a linear or branched chain of 1 to 4 carbon atoms, and R2 represents a phenyl radical substituted at least by one cyano radical (-C≡N), or a radical of a heteroaromatic ring of 5 or 6 members substituted at least by one cyano radical (-C≡N); and their physiologically acceptable salts, are useful for application in human and/or veterinary therapeutics as sedatives, anticonvulsants, hypnotics and general anaesthetics.

  氰基芳基（或氰基杂芳基）-羰基哌嗪基嘧啶的新衍生物(I)，其中 R1 代表 OR3 基，R3 代表来自饱和烃的基，具有 1 至 4 个碳原子的线性或支链，R2 代表至少被一个氰基（-C≡N）取代的苯基，或至少被一个氰基（-C≡N）取代的 5 或 6 个杂芳环的基；及其生理上可接受的盐类，可作为镇静剂、抗惊厥剂、催眠剂和全身麻醉剂用于人类和/或兽医治疗。
• US7300937B2
  申请人：——

  公开号：US7300937B2

  公开（公告）日：2007-11-27