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

Names

[ 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

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