[1,2,5]Oxadiazolo[3,4-d]pyrimidin-7-amine

Base Information

• Chemical Name: [1,2,5]Oxadiazolo[3,4-d]pyrimidin-7-amine
• CAS No.: 22003-13-0
• Molecular Formula: C₄H₃N₅O
• Molecular Weight: 137.101
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00365500
• Nikkaji Number: J83.129H
• Wikidata: Q82150229
• Mol file: 22003-13-0.mol

Synonyms:[1,2,5]oxadiazolo[3,4-d]pyrimidin-7-amine;22003-13-0;Oprea1_192398;SCHEMBL11205177;DTXSID00365500;7-aminofurazano[3,4-d]pyrimidine;STL326073;AKOS006337922;[1,2,5]oxadiazolo[3,4-e]pyrimidin-7-yl-amine

Chemical Property of [1,2,5]Oxadiazolo[3,4-d]pyrimidin-7-amine

Chemical Property:

• PSA: 91.45000
• LogP: -0.47490
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 137.03375974
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

[1,2,5]OXADIAZOLO[3,4-D]PYRIMIDIN-7-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=NON=C2C(=N1)N

Technology Process of [1,2,5]Oxadiazolo[3,4-d]pyrimidin-7-amine

There total 1 articles about [1,2,5]Oxadiazolo[3,4-d]pyrimidin-7-amine 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:

4,6-diamino-5-nitrosylpyrimidine (61908-15-4) → [1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamine (22003-13-0)

Guidance literature:

With lead(IV) acetate; In acetic acid;

DOI:10.1021/ja00755a027

Reference yield:

[1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamine (22003-13-0) + methylamine (74-89-5) → 4-aminofurazan-3-carboxylic acid N-methylamide (30720-84-4)

Guidance literature:

Multistep reaction; (i), (ii) H₂O;

DOI:10.1021/jo00820a029

Reference yield:

[1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamine (22003-13-0) → 4-amino-furazan-3-carboximidic acid amide (742637-33-8)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo00820a029

upstream raw materials:

4,6-diamino-5-nitrosylpyrimidine

Downstream raw materials:

4-aminofurazan-3-carboxylic acid N-methylamide

4-amino-furazan-3-carboximidic acid amide