5,6-Diamino-1-phenyl-3-propylpyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 5,6-Diamino-1-phenyl-3-propylpyrimidine-2,4(1H,3H)-dione
• CAS No.: 117740-75-7
• Molecular Formula: C13H16N4O2
• Molecular Weight: 260.296
• DSSTox Substance ID: DTXSID70578928
• Nikkaji Number: J1.367.698D
• Wikidata: Q82469275

Synonyms:117740-75-7;5,6-diamino-1-phenyl-3-propyluracil;SCHEMBL8830676;DTXSID70578928;LPNBXCJPQFIHOD-UHFFFAOYSA-N;5,6-Diamino-1-phenyl-3-propylpyrimidine-2,4(1H,3H)-dione

Chemical Property of 5,6-Diamino-1-phenyl-3-propylpyrimidine-2,4(1H,3H)-dione

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 260.12732577
• Heavy Atom Count: 19
• Complexity: 413

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCN1C(=O)C(=C(N(C1=O)C2=CC=CC=C2)N)N

Technology Process of 5,6-Diamino-1-phenyl-3-propylpyrimidine-2,4(1H,3H)-dione

There total 5 articles about 5,6-Diamino-1-phenyl-3-propylpyrimidine-2,4(1H,3H)-dione 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:

6-amino-1-phenyl-3-propylpyrimidine-2,4(1H,3H)-dione (176370-51-7) → 5,6-diamino-1-phenyl-3-n-propyl-2,4-(1H, 3H)-pyrimidinedione (117740-75-7)

Guidance literature:

6-amino-1-phenyl-3-propylpyrimidine-2,4(1H,3H)-dione; With hydrogenchloride; sodium nitrite;

With hydrogen; palladium on activated charcoal; In ethanol; Heating;

DOI:10.1016/S0968-0896(00)00126-7

Reference yield:

1-phenyl-3-propylurea (1932-38-3) → 5,6-diamino-1-phenyl-3-n-propyl-2,4-(1H, 3H)-pyrimidinedione (117740-75-7)

Guidance literature:

Multi-step reaction with 4 steps

1: acetic anhydride / ethyl acetate / 4 h / Heating

2: NaOH / H₂O; ethyl acetate / 6 h / 20 °C / pH 10

3: sodium nitrite; HCl / H₂O / 2 h

4: H₂ / Pd/C / methanol / 1 h

With hydrogenchloride; sodium hydroxide; hydrogen; acetic anhydride; sodium nitrite; palladium on activated charcoal; In methanol; water; ethyl acetate;

DOI:10.1016/j.bmc.2003.09.012

Reference yield:

1-(2-Cyano-acetyl)-3-phenyl-1-propyl-urea (301206-14-4) → 5,6-diamino-1-phenyl-3-n-propyl-2,4-(1H, 3H)-pyrimidinedione (117740-75-7)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOH / H₂O; ethyl acetate / 6 h / 20 °C / pH 10

2: sodium nitrite; HCl / H₂O / 2 h

3: H₂ / Pd/C / methanol / 1 h

With hydrogenchloride; sodium hydroxide; hydrogen; sodium nitrite; palladium on activated charcoal; In methanol; water; ethyl acetate;

DOI:10.1016/j.bmc.2003.09.012

upstream raw materials:

6-amino-1-phenyl-3-propylpyrimidine-2,4(1H,3H)-dione

6-amino-5-nitroso-1-phenyl-3-n-propyl-2.4-(1H, 3H)-pyrimidinedione

1-phenyl-3-propylurea

1-(2-Cyano-acetyl)-3-phenyl-1-propyl-urea

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