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

Modify Date: 2025-09-11 08:02:43

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

 Names

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

 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
InChIKey JXKQVGCVDCOCJA-UHFFFAOYSA-N
SMILES CSc1c(Cl)nc(NC(C)(C)C)nc1N1CCN(C)CC1

 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

 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
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