6-Methylpyrimidine-4,5-diamine

Base Information

• Chemical Name: 6-Methylpyrimidine-4,5-diamine
• CAS No.: 22715-28-2
• Molecular Formula: C5H8 N4
• Molecular Weight: 124.145
• Hs Code.: 2933599090
• NSC Number: 122008
• DSSTox Substance ID: DTXSID30298256
• Nikkaji Number: J100.522G
• Wikidata: Q82039951
• Mol file: 22715-28-2.mol

Synonyms:6-methylpyrimidine-4,5-diamine;22715-28-2;4,5-DIAMINO-6-METHYLPYRIMIDINE;4,5-Pyrimidinediamine, 6-methyl- (9CI);4,5-Pyrimidinediamine, 6-methyl-;Pyrimidine, 4,5-diamino-6-methyl-;4,5-Pyrimidinediamine,6-methyl-;NSC122008;NSC 122008;4, 6-methyl-;Discontinued see D416376;Discontinued see D416376";Pyrimidine,5-diamino-6-methyl-;SCHEMBL13403365;DTXSID30298256;6-Methyl-4,5-pyrimidinediamine #;AKOS006275446;NSC-122008;SB56930;CS-0045916;FT-0666383;W-201946

Chemical Property of 6-Methylpyrimidine-4,5-diamine

Chemical Property:

• Vapor Pressure: 0.000372mmHg at 25°C
• Melting Point: 215-220oC
• Boiling Point: 318°C at 760 mmHg
• Flash Point: 172°C
• PSA: 77.82000
• Density: 1.283g/cm³
• LogP: 1.11180
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 124.074896272
• Heavy Atom Count: 9
• Complexity: 95

Purity/Quality:

NLT 98% ^*data from raw suppliers

4,5-Diamino-6-methylpyrimidineHCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NC=N1)N)N

Technology Process of 6-Methylpyrimidine-4,5-diamine

There total 2 articles about 6-Methylpyrimidine-4,5-diamine 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:

(2R,3S,4S)-5-[(Z)-5-Amino-6-methyl-pyrimidin-4-ylimino]-pentane-1,2,3,4-tetraol → 4,5-diamino-6-methylpyrimidine (22715-28-2) + D-ribose (50-69-1)

Guidance literature:

With sodium hydroxide; at 90.1 ℃; Mechanism; Rate constant; hydroxide ion concentration influence;

Reference yield:

9-(1-ethoxyethyl)-6-methylpurine (85134-39-0) → 4,5-diamino-6-methylpyrimidine (22715-28-2) + 6,8-dimethylpurine (85110-42-5) + 6-methylpurine (2004-03-7)

Guidance literature:

With sodium hydroxide; In water; at 90.1 ℃; Product distribution; Rate constant; other temperatures; alkalyne hydrolysis of 6-substituted 9-(1-ethoxyethyl)purines, effect of substituent, formation of intermediates;

Reference yield:

4,5-diamino-6-methylpyrimidine (22715-28-2) + formic acid (64-18-6) → 6-methylpurine (2004-03-7)

Guidance literature:

at 210 ℃;

upstream raw materials:

9-(1-ethoxyethyl)-6-methylpurine

Downstream raw materials:

6-methylpurine

6-methyl-7,9-dihydro-purine-8-thione

4-methyl-6,7-diphenyl-pteridine

6-methyl-7,9-dihydro-purin-8-one

Refernces

• 1、 Loennberg, Harri,Lehikoinen, Pertti,Neuvonen, Kari. "Mechanisms for the Solvolytic Decompositions of Nucleoside Analogues. IX. Pathways for the Alkyline Hydrolysis of 6-Substituted 9-(1-Ethoxyethyl)purines". . p. 707 - 712. Retrieved 2007/10/02.