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55477-20-8

55477-20-8 structure
55477-20-8 structure

Name N-tert-butyl-4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
Synonyms 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
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

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