4-Chloro-1H-Pyrazolo[3,4-D]Pyrimidin-6-Amine 4-氯-1H-吡唑并[3,4-D]嘧啶-6-胺

CAS 100644-65-3 MFCD08059805

化学结构图

100644-65-3
SMILES: NC1N=C2NN=CC2=C(Cl)N=1

化学属性

Mol. FormulaC5H4ClN5
Mol. Weight169.57
Melting Point210°C
Boiling Point282.3±50.0 °C at 760 mmHg

别名和识别编码

Chemical Name4-Chloro-1H-Pyrazolo[3,4-D]Pyrimidin-6-Amine
CAS Number100644-65-3
Alfabeta NameCHLOROPYRAZOLOPYRIMIDINAMINE HD41346[]------,
MDL NumberMFCD08059805
Synonym 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlo
Chemical Name Translation4-氯-1H-吡唑并[3,4-D]嘧啶-6-胺
PubChem Substance ID329783792
Canonical SMILESNC1=NC(Cl)=C2C(NN=C2)=N1
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分类

  • {KO} ReacChlorides
  • {KO} AminesSecondaryHeteroNH
  • Building Blocks, C4 to C5, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Pyrimidines
  • {KO} AminesPrimary
  • {SNA} Building Blocks, C4 to C5, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks,

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P301+P310
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
Storage condition -20°C, sealed storage, away from moisture and light {LY} -20°C, sealed storage, away from moisture and light 2-8°C, protect from light {} {LY} -20°C, sealed storage, away from moisture and light {} {} {LY} -20°C, sealed storage, away from moisture and light {} {} {} {LY} -20°C, sealed storage, away from moisture and light {} {} {} {} {LY} -20°C, sealed storage, away from moisture and light {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture and light {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture and 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 Donors
2
H-bond Acceptors
3
Rotatable Bonds
0
LogP
5.511000000000000e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Halogenated Heterocycles 卤代杂环
  5. Pyrimidines - Halogenated Heterocycles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  5. C4 to C5 - Pyrimidines

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