2,5-Diamino-4,6-dihydroxypyrimidine

Base Information

• Chemical Name: 2,5-Diamino-4,6-dihydroxypyrimidine
• CAS No.: 40769-69-5
• Molecular Formula: C4H6N4O2
• Molecular Weight: 142.117
• Hs Code.: 2933599090
• European Community (EC) Number: 609-864-9
• DSSTox Substance ID: DTXSID40967143
• Nikkaji Number: J329.026C
• Wikidata: Q27093125
• Metabolomics Workbench ID: 146649
• ChEMBL ID: CHEMBL175083
• Mol file: 40769-69-5.mol

Synonyms:40769-69-5;2,5-Diamino-4,6-dihydroxypyrimidine;2,5-diaminopyrimidine-4,6-diol;527-57-1;diaminopyrimidine-4,6-diol;2,5-diamino-4-hydroxy-1H-pyrimidin-6-one;2,5-Diamino-4,6-dihydroxy-pyrimidine;4(1H)-Pyrimidinone, 2,5-diamino-6-hydroxy-;2,4-DIAMINO-4,6-DIHYDROXYPYRIMIDINE;CHEMBL175083;2,5-diamino-6-hydroxy-3H-pyrimidin-4-one;2,5-Diamino-4,6-dihydropyrimidine hemisulfate salt;MFCD02094729;2,5-Diamino-pyrimidine-4,6-diol;1il5;SCHEMBL147549;2,5-Diaminopyrimidin-4,6-diol;DTXSID40967143;2,5-Diamino-4,6-pyrimidinediol;4,6-Dioxy-2,5-Diaminopyrimidin;HWSJQFCTYLBBOF-UHFFFAOYSA-N;AM986;BBL029585;BDBM50108010;STL250133;2,5-Diamino-4,6-dihydroxy-pyrimidin;AKOS000280642;AKOS006223227;AC-8786;AC-9259;DB02037;GS-6272;SB57426;PD008200;2,5-diamino-6-hydroxy-4(3H)-pyrimidinone;2,5-diamino-6-hydroxypyrimidin-4(3H)-one;A6804;CS-0150028;FT-0639665;4(3H)-Pyrimidinone, 2,5-diamino-6-hydroxy-;EN300-7350888;5-Amino-2-imino-1,2-dihydropyrimidine-4,6-diol;2,5-diamino-6-hydroxy-3,4-dihydropyrimidin-4-one;J-507282;Q27093125;2,5-DIAMINO-4,6-DIHYDROXYPYRIMIDINE

Chemical Property of 2,5-Diamino-4,6-dihydroxypyrimidine

Chemical Property:

• Appearance/Colour: Yellow to pink powder
• Vapor Pressure: 1.31E-11mmHg at 25°C
• Melting Point: > 250oC
• Refractive Index: 1.877
• Boiling Point: 524.2 °C at 760 mmHg
• PKA: 8.52±0.10(Predicted)
• Flash Point: 270.9 °C
• PSA: 118.28000
• Density: 2.15 g/cm³
• LogP: 1.01660
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 142.04907545
• Heavy Atom Count: 10
• Complexity: 242

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,5-Diaminopyrimidine-4,6-diol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(N=C(NC1=O)N)O)N

Technology Process of 2,5-Diamino-4,6-dihydroxypyrimidine

There total 1 articles about 2,5-Diamino-4,6-dihydroxypyrimidine 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:

2-amino-5-nitropyrimidine-4,6-diol (80466-56-4) → 2,5-diamino-4,6-dihydroxypyrimidine hydrochloride (40769-69-5)

Guidance literature:

With ammonium hydroxide; ammonium chloride; sodium hydroxide; zinc; at 70 ℃; for 1.16667h; Temperature;

Reference yield: 87.0%

2,5-diamino-4,6-dihydroxypyrimidine hydrochloride (40769-69-5) + cyclohexanylcarbonyl chloride (2719-27-9) → 2-amino-5-cyclohexanecarboxamido-4,6-dihydroxypyrimidine (1245317-48-9)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 1h; Cooling with ice;

Reference yield: 87.0%

1-phenyl-1-cyclopropane carboxylic acid (6120-95-2) + 2,5-diamino-4,6-dihydroxypyrimidine hydrochloride (40769-69-5) → 2-amino-4,6-dihydroxy-5-(1-phenylcyclopropanecarboxamido)pyrimidine (1245317-58-1)

Guidance literature:

1-phenyl-1-cyclopropane carboxylic acid; With thionyl chloride; for 1h; Reflux;

2,5-diamino-4,6-dihydroxypyrimidine hydrochloride; With sodium hydroxide; In 1,4-dioxane; water; at 0 - 20 ℃; for 1h;

upstream raw materials:

2-amino-5-nitropyrimidine-4,6-diol

Downstream raw materials:

5-acetylamino-2-methyl-6H-oxazolo[5,4-d]pyrimidin-7-one

2-amino-5-cyclohexanecarboxamido-4,6-dihydroxypyrimidine

2-amino-4,6-dihydroxy-5-(1-phenylcyclopropanecarboxamido)pyrimidine

Refernces