2,3-Diamino-6-methylpyrimidin-4(3h)-one

Base Information

• Chemical Name: 2,3-Diamino-6-methylpyrimidin-4(3h)-one
• CAS No.: 35523-64-9
• Molecular Formula: C5H8N4O
• Molecular Weight: 140.145
• DSSTox Substance ID: DTXSID60956918
• Wikidata: Q82937046
• Mol file: 35523-64-9.mol

Synonyms:2,3-diamino-6-methylpyrimidin-4(3h)-one;35523-64-9;2,3-diamino-6-methylpyrimidin-4-one;2,3-diamino-6-methyl-3,4-dihydropyrimidin-4-one;2,3-diamino-6-methyl-4(3H)-pyrimidinone;4(3H)-Pyrimidinone, 2,3-diamino-6-methyl-;Oprea1_357956;SCHEMBL1681620;DTXSID60956918;YZNMOAIBTPNUTO-UHFFFAOYSA-N;MFCD00474034;STL298120;AKOS002663774;SB56940;AS-65139;CS-0036050;EN300-152261;3-Amino-2-imino-6-methyl-2,3-dihydropyrimidin-4(1H)-one

Chemical Property of 2,3-Diamino-6-methylpyrimidin-4(3h)-one

Chemical Property:

• Vapor Pressure: 0.00102mmHg at 25°C
• Boiling Point: 301.9°Cat760mmHg
• Flash Point: 136.4°C
• Density: 1.56g/cm³
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 140.06981089
• Heavy Atom Count: 10
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)N(C(=N1)N)N

Technology Process of 2,3-Diamino-6-methylpyrimidin-4(3h)-one

There total 5 articles about 2,3-Diamino-6-methylpyrimidin-4(3h)-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 54.0%

ethyl acetoacetate (141-97-9) + 1-aminoguanidine hydrochloride (1937-19-5,16139-18-7) → 2,3-Diamino-6-methyl-4(3H)-pyrimidinone (35523-64-9)

Guidance literature:

1-aminoguanidine hydrochloride; With sodium ethanolate; In ethanol; at 50 ℃; for 0.5h;

ethyl acetoacetate; In ethanol; at 20 ℃; Reflux;

DOI:10.1021/jm200592f

Reference yield: 40.0%

ethyl acetoacetate (141-97-9) + 1-aminoguanidine hydrochloride (1937-19-5,16139-18-7) → 3-Methyl-5-oxo-4,5-dihydro-pyrazole-1-carboxamidine (27623-72-9) + 2,3-Diamino-6-methyl-4(3H)-pyrimidinone (35523-64-9)

Guidance literature:

With sodium methylate; In ethanol; Ambient temperature;

DOI:10.1002/jhet.5570210559

Reference yield: 16.0%

ethyl acetoacetate (141-97-9) + aminoguanidine (79-17-4) → 2,3-Diamino-6-methyl-4(3H)-pyrimidinone (35523-64-9)

Guidance literature:

aminoguanidine; With sodium ethanolate; In ethanol; at 90 ℃; for 0.5h;

ethyl acetoacetate; for 15h; Reflux;

upstream raw materials:

ethyl acetoacetate

1-aminoguanidine hydrochloride

aminoguanidine

Downstream raw materials:

2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-ethyl-5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-2-(1-methylethyl)-N-[4-(trifluoromethyl)phenyl][1,2,4]-triazolo[1,5-a]pyrimidin-7-amine