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