Propanedioic acid,2-[[[6-amino-2-(methylthio)-4-pyrimidinyl]amino]methylene]-, 1,3-diethyl ester

Modify Date: 2025-08-27 21:12:21

Propanedioic acid,2-[[[6-amino-2-(methylthio)-4-pyrimidinyl]amino]methylene]-, 1,3-diethyl ester Structure
Propanedioic acid,2-[[[6-amino-2-(methylthio)-4-pyrimidinyl]amino]methylene]-, 1,3-diethyl ester structure
 Common Name Propanedioic acid,2-[[[6-amino-2-(methylthio)-4-pyrimidinyl]amino]methylene]-, 1,3-diethyl ester
CAS Number 36707-42-3 Molecular Weight 326.37100
Density 1.31g/cm3 Boiling Point 470.5ºC at 760mmHg
Molecular Formula C13H18N4O4S Melting Point N/A
MSDS N/A Flash Point 238.3ºC

 Names

Name diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.31g/cm3
Boiling Point 470.5ºC at 760mmHg
Molecular Formula C13H18N4O4S
Molecular Weight 326.37100
Flash Point 238.3ºC
Exact Mass 326.10500
PSA 141.73000
LogP 1.85690
Index of Refraction 1.583
InChIKey LPOCZNCNWDOCNI-UHFFFAOYSA-N
SMILES CCOC(=O)C(=CNc1cc(N)nc(SC)n1)C(=O)OCC

 Synthetic Route

4,6-DIAMINO-2-METHYLMERCAPTOPYRIMIDINE structure

4,6-DIAMINO-2-M...

CAS#:1005-39-6

diethylethoxy methylene malonate structure

diethylethoxy m...

CAS#:41343-58-2

~69%

Propanedioic acid,2-[[[6-amino-2-(methylthio)-4-pyrimidinyl]amino]methylene]-, 1,3-diethyl ester Structure

Propanedioic ac...

CAS#:36707-42-3

Literature: LYNDOR BIOSCIENCES L.L.C.; AKINSANMI, Lawrence; KINCAID, John Patent: WO2012/158197 A2, 2012 ; Location in patent: Page/Page column 104-105 ;
4,6-DIAMINO-2-METHYLMERCAPTOPYRIMIDINE structure

4,6-DIAMINO-2-M...

CAS#:1005-39-6

Diethyl ethoxymethylenemalonate structure

Diethyl ethoxym...

CAS#:87-13-8

~84%

Propanedioic acid,2-[[[6-amino-2-(methylthio)-4-pyrimidinyl]amino]methylene]-, 1,3-diethyl ester Structure

Propanedioic ac...

CAS#:36707-42-3

Literature: Anderson; Richardson Journal of Heterocyclic Chemistry, 1985 , vol. 22, # 6 p. 1735 - 1737

 Synonyms

Diethyl N-(2-methylthio-4-amino-6-pyrimidinyl)aminomethylenemalonate
diethyl-2(6-amino-2-(methylthio)pyrimidin-4-ylamino)methylenemalonate
[(6-amino-2-methylsulfanyl-pyrimidin-4-ylamino)-methylene]-malonic acid diethyl ester
diethyl 2-(((6-amino-2-(methylsulfanyl)-4-pyrimidinyl)amino)methylene)malonate
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Chemsrc provides CAS#:36707-42-3 MSDS, density, melting point, boiling point, structure, etc. Its name is Propanedioic acid,2-[[[6-amino-2-(methylthio)-4-pyrimidinyl]amino]methylene]-, 1,3-diethyl ester>> amp version: Propanedioic acid,2-[[[6-amino-2-(methylthio)-4-pyrimidinyl]amino]methylene]-, 1,3-diethyl ester

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