2-(4-Methylpiperazin-1-yl)pyridin-3-amine 2-(4-甲基哌嗪)-3-氨基吡啶

CAS 5028-17-1 MFCD01704018

化学结构图

5028-17-1
SMILES: CN1CCN(c2ncccc2N)CC1

化学属性

Mol. FormulaC10H16N4
Mol. Weight192.26
Melting Point112-114 °C
Boiling Point361.6±42.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-(4-Methylpiperazin-1-Yl)Pyridin-3-Amine
CAS Number5028-17-1
Alfabeta NameMETHYLPIPERAZINOPYRIDINAMINE 243()----
MDL NumberMFCD01704018
Synonym 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {} {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {} {} {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {} {} {} {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {} {} {} {} {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {} {} {} {} {} {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {} {} {} {} {} {} {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {} {} {} {} {} {} {} {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylpiperazin-1-yl)pyridin-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methyl
Chemical Name Translation2-(4-甲基哌嗪)-3-氨基吡啶
Wiswesser Line NotationT6N DNTJ A1 D- BT6NJ CZ
Beilstein Registry Number0613365
InChIKeyIFHQJBQZOLOOHW-UHFFFAOYSA-N
LabNetwork Molecule IDLN00148955
PubChem Substance ID199808
InChIInChI=1S/C10H16N4/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10/h2-4H,5-8,11H2,1H3
Canonical SMILESNC1=CC=CN=C1N2CCN(C)CC2
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分类

  • {SNA} Building Blocks, C10, Chemical Synthesis, Heterocyclic Building Blocks, Piperazines, Pyridines
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
RTECSTK8113500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 10,812,1967

WGK Germany3
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
1
H-bond Donors
1
LogP
2.434000000000000e-001

系列性分类

  1. C10 - Pyridines

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