2,4-Diamino-5-phenylpyrimidine

Base Information

• Chemical Name: 2,4-Diamino-5-phenylpyrimidine
• CAS No.: 18588-49-3
• Molecular Formula: C10H10N4
• Molecular Weight: 186.24
• UNII: B8XW644X9W
• DSSTox Substance ID: DTXSID00171805
• Nikkaji Number: J85.940K
• Wikidata: Q83041954
• ChEMBL ID: CHEMBL21690
• Mol file: 18588-49-3.mol

Synonyms:5-phenylpyrimidine-2,4-diamine;18588-49-3;2,4-Diamino-5-phenylpyrimidine;Pyrimidine, 2,4-diamino-5-phenyl-;BRN 0146163;CHEMBL21690;B8XW644X9W;5-phenyl-2,4-pyrimidinediamine;C10H10N4;2,4-Pyrimidinediamine, 5-phenyl-;UNII-B8XW644X9W;SCHEMBL1317365;Cl-864;DTXSID00171805;5-Phenyl-pyrimidine-2,4-diamine;BDBM50110757;AKOS002658321;C10-H10-N4;SB56939;DIAMINO-5-PHENYLPYRIMIDINE, 2,4-;LS-135037;CS-0237416;FT-0656964;EN300-183279;A812986;Z1037348806

Chemical Property of 2,4-Diamino-5-phenylpyrimidine

Chemical Property:

• Vapor Pressure: 1.76E-08mmHg at 25°C
• Refractive Index: 1.686
• Boiling Point: 455.4 °C at 760 mmHg
• Flash Point: 260 °C
• Density: 1.277 g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 186.090546336
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(N=C2N)N

Technology Process of 2,4-Diamino-5-phenylpyrimidine

There total 8 articles about 2,4-Diamino-5-phenylpyrimidine 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:

2,4-diamino-5-(4-phenylbutyl)pyrimidine (156667-51-5) + 2-dimethylaminomethylene-2-phenylacetonitrile (70205-70-8) + guanidine hydrochloride (50-01-1) → 2,4-diamino-5-phenyl pyrimidine (18588-49-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

Reference yield:

→ 2,4-diamino-5-phenyl pyrimidine (18588-49-3)

Guidance literature:

With trichlorophosphate; anschliessenden Erhitzen mit aethanol.NH₃ auf 155-160grad;

DOI:10.1021/ja01152a060

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + phenyl(formyl)acetonitrile (5841-70-3) → 2,4-diamino-5-phenyl pyrimidine (18588-49-3)

Guidance literature:

With diethyl ether; anschliessenden Erwaermen mit Guanidin in Aethanol;

DOI:10.1021/ja01152a060

upstream raw materials:

diazomethane

phenyl(formyl)acetonitrile

3-methoxy-2-phenylacrylonitrile

guanidine nitrate

Downstream raw materials:

5-(4-amino-phenyl)-pyrimidine-2,4-diyldiamine

5-(4-nitro-phenyl)-pyrimidine-2,4-diyldiamine

Refernces