4(1H)-Pyrimidinone, 2,3-dihydro-5-(1-piperidinylmethyl)-2-thioxo- 2-巯基-5-(哌啶-1-基甲基)嘧啶-4-醇

CAS 5424-84-0 MFCD01689082

化学结构图

5424-84-0
SMILES: O=c1[nH]c(=S)[nH]cc1CN1CCCCC1

化学属性

Mol. FormulaC10H15N3OS
Mol. Weight225.31
Melting Point224-225 °C

别名和识别编码

Chemical Name4(1H)-Pyrimidinone, 2,3-dihydro-5-(1-piperidinylmethyl)-2-thioxo-
Alfabeta NamePIPERIDINOMETHYLTHIOXODIHYDROPYRIMIDINONE H522341(())-------,
MDL NumberMFCD01689082
CAS Number5424-84-0
Chemical Name Translation2-巯基-5-(哌啶-1-基甲基)嘧啶-4-醇
InChIKeyHVNGXJJCRHNOQC-UHFFFAOYSA-N
Synonym 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {LY} 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {} {LY} 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {} {} {LY} 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {} {} {} {LY} 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {} {} {} {} {LY} 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {} {} {} {} {} {LY} 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {} {} {} {} {} {} {LY} 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {} {} {} {} {} {} {} {LY} 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {} {} {} {} {} {} {} {} {LY} 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {} {} {} {} {} {} {} {} {} {LY} 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {} {} {} {} {} {} {} {} {} {} {LY} 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Mercapto-5-(piperidin-1-ylmethyl)pyrimidin-4-ol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Mercapto-5-(piperidin-1-ylmet
Beilstein Registry Number0913947
LabNetwork Molecule IDLN00150858
PubChem Substance ID3034490
InChIInChI=1S/C10H15N3OS/c14-9-8(6-11-10(15)12-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H2,11,12,14,15)
Canonical SMILESC1CCN(CC1)CC2=CN=C(N=C2O)S
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分类

  • {KO} Misc

安全信息

Warnings IRRITANT
RTECSUW7398200 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IJSIDW Indian Journal of Pharmaceutical Sciences.  (Kalina, Santa Cruz
   (East), Bombay 400 029, India)  V.40(2)-    1978-  Volume(issue)/page/year:
   45,199,1983

Storage condition

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
3
Rotatable Bonds
2
H-bond Donors
2
LogP
6.459010000000001e-001

系列性分类

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