Ethyl 2-amino-1,4-dihydro-4-oxo-5-pyrimidinecarboxylate

ChEBI: An aminopyrimidine that is 2-amino-4-hydroxypyrimidine in which the hydrogen at position 5 is substituted by an ethoxycarbonyl group.

Ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate is an aminopyrimidine that is 2-amino-4-hydroxypyrimidine in which the hydrogen at position 5 is substituted by an ethoxycarbonyl group. It is a pyrimidinecarboxylate ester, an aminopyrimidine, a hydroxypyrimidine and an ethyl ester.

In a 20 L flask 1.070 Kg of KOH was dissolved with 10 L of distilled water, stirred to get clear solution and 5 g of silica functionalized magnetic nanoparticles (Fe3O4(at)SiO2) was added. To the above mixture 2 Kg of guanidine carbonate was added and stirring is continued fordissolution. Temperature of the reaction mixture was main-tained around 20 °C. Diethylethoxy methyl melonate (2.4 kg) was added dropwise over 3 h, the temperature of reaction mixture was raised from 20 to 35 °C. A yellow solid was precipitated and reaction was cooled. Then with the help of external magnet Fe3O4SiO2 particles was removed, particles were washed with acetone and dried. The reaction mixture was cooled to 0-5 °C and pale yellow colour thick mixture was filtered and washed with ice cold water and padded well. The product was recrystallized from ethanol/water and dried in oven at 40 °C. The dried product is divided into two parts and recrystallizedin 15 L of 60 percent H2O/40 percent EtOH. The recrystallization was hazy at first but goes clearer in appearance after 1 h of steam heating. This compound is to crystallize and first sign is observedat 39 °C and continued with slow cooling. The process was done for both the parts and dried under vacuum oven. Yield: 95 percent

Molecular Weight:183.16
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:183.06439116
Monoisotopic Mass:183.06439116
Topological Polar Surface Area:93.8
Heavy Atom Count:13
Complexity:306
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes