4-Chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine

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Names

[ CAS No. ]:
55477-20-8

[ Name ]:
4-Chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine

[Synonym ]:
2-tert-Butylamino-4-N-methylpiperazino-5-methylthio-6-chloro-pyrimidine
4-Chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthiopyrimidine
tert-butyl-[4-chloro-6-(4-methyl-piperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-yl]-amine
Pyrimidine,4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio
2-tert-Butylamino-4-(4-methylpiperazino)-5-methylmercapto-6-chlorpyrimidin

Chemical & Physical Properties

[ Density]:
1.23g/cm3

[ Boiling Point ]:
459.5ºC at 760 mmHg

[ Molecular Formula ]:
C14H24ClN5S

[ Molecular Weight ]:
329.89200

[ Flash Point ]:
231.7ºC

[ Exact Mass ]:
329.14400

[ PSA ]:
69.59000

[ LogP ]:
2.89000

[ Index of Refraction ]:
1.598

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV7910000
CHEMICAL NAME :
Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5 -methylthio-
CAS REGISTRY NUMBER :
55477-20-8
BEILSTEIN REFERENCE NO. :
0889233
LAST UPDATED :
199703
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H24-Cl-N5-S
MOLECULAR WEIGHT :
329.94
WISWESSER LINE NOTATION :
T6N DNTJ A1 D- DT6N CNJ BMX1&1&1 ES1 FG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 18,553,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
67 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 18,553,1975

Related Compounds

  • 3-(3-Chlorophenyl)-5-(1-(cyclopropylsulfonyl)azetidin-3-yl)-1,2,4-oxadiazole
  • 5-(1-((5-Bromothiophen-2-yl)sulfonyl)azetidin-3-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
  • Methyl 3-((3-(3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)sulfonyl)thiophene-2-carboxylate
  • (E)-3-(3-chlorophenyl)-5-(1-((4-methylstyryl)sulfonyl)azetidin-3-yl)-1,2,4-oxadiazole
  • 5-(1-((2,5-Dimethylphenyl)sulfonyl)azetidin-3-yl)-3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole
  • (E)-5-(1-(styrylsulfonyl)azetidin-3-yl)-3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole
  • N-benzyl-6-ethoxypyridazine-3-carboxamide
  • 6-ethoxy-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
  • 6-ethoxy-N-(pyridin-3-yl)pyridazine-3-carboxamide
  • N-(4-chlorophenyl)-6-ethoxypyridazine-3-carboxamide
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