6-Chloro-2,5-dimethylpyrimidin-4(1H)-one 6-氯-2,5-二甲基嘧啶-4(1H)-酮

CAS 1194-73-6 MFCD12025846

化学结构图

1194-73-6
SMILES: Cc1nc(=O)c(C)c(Cl)[nH]1

化学属性

Mol. FormulaC6H7ClN2O
Mol. Weight158.59
Melting Point255-257 °C
Boiling Point217.4°C at 760 mmHg

别名和识别编码

Chemical Name6-Chloro-2,5-dimethylpyrimidin-4(1H)-one
Alfabeta NameCHLOROIODOMETHYLPYRIMIDINOL 6524-------
MDL NumberMFCD12025846
CAS Number1194-73-6
Chemical Name Translation6-氯-2,5-二甲基嘧啶-4(1H)-酮
PubChem Substance ID135741790
InChIInChI=1S/C5H4ClIN2O/c1-2-8-4(6)3(7)5(10)9-2/h1H3,(H,8,9,10)
Synonym 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {} {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {} {} {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {} {} {} {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {} {} {} {} {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {} {} {} {} {} {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2,5-dimethylpyrimidin-4(1H)-
Canonical SMILESO=C1N=C(NC(Cl)=C1C)C
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分类

  • {KO} ReacChlorides
  • {KO} HeteroArylOH
  • {KO} ReacIodides

安全信息

Warnings IRRITANT
Storage condition -20°C {LY} -20°C {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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
1
H-bond Acceptors
3
Rotatable Bonds
0
LogP
2

系列性分类

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