2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid 2-(5-氰基-6-甲基-2,4-二氧代-3,4-二氢嘧啶-1(2H)-基) 乙酸

CAS 5900-45-8 MFCD09607900

化学结构图

5900-45-8
SMILES: Cc1c(C#N)c(=O)[nH]c(=O)n1CC(=O)O

化学属性

Mol. FormulaC8H7N3O4
Mol. Weight209.16
Melting Point271-274 °C

别名和识别编码

Chemical Name2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CAS Number5900-45-8
Alfabeta NameCYANOMETHYLDIOXODIHYDROPYRIMIDINYLACETICACID H256243412[]()----------,,
MDL NumberMFCD09607900
Chemical Name Translation2-(5-氰基-6-甲基-2,4-二氧代-3,4-二氢嘧啶-1(2H)-基) 乙酸
LabNetwork Molecule IDLN00149378
PubChem Substance ID24213783
InChIInChI=1S/C8H7N3O4/c1-4-5(2-9)7(14)10-8(15)11(4)3-6(12)13/h3H2,1H3,(H,12,13)(H,10,14,15)
Synonym 2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid {LY} 2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid {} {LY} 2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid {} {} {LY} 2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid {} {} {} {} {} {} {LY} 2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid {} {} {} {} {LY} 2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid {} {} {} {} {} {LY} 2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid {} {} {} {} {} {} {LY} 2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid {} {} {} {} {} {} {} {LY} 2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid {} {} {} {} {} {} {} {} {LY} 2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid {} {} {} {} {} {} {} {} {} {LY} 2-(5-Cyano-6-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic a
Canonical SMILESCC1=C(C(NC(N1CC(O)=O)=O)=O)C#N
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分类

  • {KO} Nitriles
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

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

系列性分类

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