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

Modify Date: 2024-04-03 14:12:14

4-Chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine structure	Common Name	4-Chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine
	CAS Number	55477-20-8	Molecular Weight	329.89200
	Density	1.23g/cm3	Boiling Point	459.5ºC at 760 mmHg
	Molecular Formula	C₁₄H₂₄ClN₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	231.7ºC

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

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

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

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synonyms