N-(4,6-diaminopyrimidin-5-yl)formamide

Base Information

• Chemical Name: N-(4,6-diaminopyrimidin-5-yl)formamide
• CAS No.: 5122-36-1
• Molecular Formula: C5H7N5O
• Molecular Weight: 153.143
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20199228
• Nikkaji Number: J570.965B
• Wikidata: Q27103440
• Metabolomics Workbench ID: 38551
• Mol file: 5122-36-1.mol

Synonyms:4,6-diamino-5-formamidopyrimidine;4,6-diamino-5-N-formamidopyrimidine;FAPy;FapyAde

Chemical Property of N-(4,6-diaminopyrimidin-5-yl)formamide

Chemical Property:

• Vapor Pressure: 8.18E-09mmHg at 25°C
• Refractive Index: 1.673
• Boiling Point: 536.1 °C at 760 mmHg
• Flash Point: 278 °C
• PSA: 106.92000
• Density: 1.575 g/cm³
• LogP: 1.08060
• Storage Temp.: −20°C
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 153.06505986
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

N-(4,6-Diaminopyrimidin-5-yl)formamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=NC(=C(C(=N1)N)NC=O)N

Technology Process of N-(4,6-diaminopyrimidin-5-yl)formamide

There total 6 articles about N-(4,6-diaminopyrimidin-5-yl)formamide 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:

formic acid (64-18-6) + 4,5,6-triaminopyrimidine sulfate (49721-45-1) → N-(4,6-diaminopyrimidin-5-yl)formamide (5122-36-1)

Guidance literature:

With water;

DOI:10.1021/ja01154a032 DOI:10.1021/ja01174a502

Reference yield:

formic acid (64-18-6) + 4,5,6-triaminopyrimidine (118-70-7) → N-(4,6-diaminopyrimidin-5-yl)formamide (5122-36-1)

Guidance literature:

Reference yield:

adenine (66224-66-6,66224-67-7,66224-68-8,66224-69-9,134434-48-3,134434-49-4,134454-76-5,134461-75-9) → N-(4,6-diaminopyrimidin-5-yl)formamide (5122-36-1) + 8-Hydroxyadenine (21149-26-8)

Guidance literature:

With water; dinitrogen monoxide; at 20 ℃; Rate constant; Thermodynamic data; Mechanism; van de Graaff accelerator pulsation, product yield/distribution, E_A, ΔS, log A, var. oxidizing or reducing agents; other 9-substituted adenine derivatives;

DOI:10.1021/ja00175a036

upstream raw materials:

formic acid

4,5,6-triaminopyrimidine sulfate

4,5,6-triaminopyrimidine

adenine

Downstream raw materials:

7H-purin-6-ylamine

Refernces

• 1、 Cavalieri,Brown. "-". . p. 2246. Retrieved 1949.
• 2、 Vieira,Steenken. "Pattern of OH radical reaction with adenine and its nucleosides and nucleotides. Characterization of two types of isomeric OH adduct and their unimolecular transformation reactions". . p. 6986 - 6994. Retrieved 1990.