20781-06-0

Basic information

• Product Name: 2,4-DIAMINO-PYRIMIDINE-5-CARBALDEHYDE
• Synonyms: 2,4-DIAMINO-PYRIMIDINE-5-CARBALDEHYDE;2,4-DIAMINOPYRIMIDINE-5-CARBOXALDEHYDE;AURORA KA-6757;5-Pyrimidinecarboxaldehyde, 2,4-diamino- (6CI,8CI,9CI);2,4-Diamino-5-formylpyrimidine;2,4-DiaMino-5-pyriMidinecarboxaldehyde;2,6-DiaMino-5-pyriMidinecarboxaldehyde;NSC 211353
• CAS NO: 20781-06-0
• Molecular Formula: C₅H₆N₄O
• Molecular Weight: 138.13
• Product Categories: PYRIMIDINE;Building Blocks;Amines;Aromatics;Heterocycles;Intermediates
• Mol File: 20781-06-0.mol
• Article Data: 9

Chemical Properties

• Melting Point: 274-276°C
• Boiling Point: 468.3 °C at 760 mmHg
• Flash Point: 237 °C
• Appearance: Yellow solid
• Density: 1.5 g/cm³
• Vapor Pressure: 6.75E-11mmHg at 25°C
• Refractive Index: 1.723
• Storage Temp.: Refrigerator
• Solubility: DMSO, Methanol
• PKA: 5.32±0.10(Predicted)
• CAS DataBase Reference: 2,4-DIAMINO-PYRIMIDINE-5-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-DIAMINO-PYRIMIDINE-5-CARBALDEHYDE(20781-06-0)
• EPA Substance Registry System: 2,4-DIAMINO-PYRIMIDINE-5-CARBALDEHYDE(20781-06-0)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-43-36-22
• Safety Statements: 26-36/37/39-36/37
• Hazardous Substances Data: 20781-06-0(Hazardous Substances Data)

Usage

Chemical Properties

Yellow Solid

InChI:InChI=1/C5H8N4O/c6-4-3(2-10)1-8-5(7)9-4/h1,10H,2H2,(H4,6,7,8,9)

Upstream product

• 16462-27-4 2,4-diamino-pyrimidine-5-carbonitrile 
• 156-81-0 2,4-diaminopyrimidine 
• 68-12-2 N,N-dimethyl-formamide 
• 64-18-6 formic acid 

Downstream Products

• 26752-70-5 2,7-diamino-6-(2,6-dichlorophenyl)-pyrido[2,3-d]-pyrimidine 
• 26752-66-9 6-p-tolyl-pyrido[2,3-d]pyrimidine-2,7-diamine 
• 179343-34-1 6-(3-methoxy-phenyl)-pyrido[2,3-d]pyrimidine-2,7-diamine 
• 179343-27-2 6-(2,3-dichlorophenyl)-pyrido[2,3-d]pyrimidine-2,7-diamine 
• 179343-28-3 6-(2,3,6-trichloro-phenyl)-pyrido[2,3-d]pyrimidine-2,7-diamine 
• 179343-29-4 6-(2,3-dimethyl-phenyl)-pyrido[2,3-d]pyrimidine-2,7-diamine 
• 179343-23-8 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine 
• 26752-64-7 6-o-tolyl-pyrido[2,3-d]pyrimidine-2,7-diamine 
• 20781-09-3 5-(bromomethyl)pyrimidine-2,4-diamine hydrobromide 
• 179343-19-2 7-amino-6-(2,6-dichlorophenyl)-2-(3-diethylamino-propylamino)-pyrido[2,3-d]pyrimidine 
• 179343-21-6 6-(2,6-dichlorophenyl)-N₂-(4-diethylamino-butyl)-pyrido[2,3-d]pyrimidine-2,7-diamine 

Relevant articles and documents

-

-

N-(4-substituted phenethyl) acetamide compounds and use thereof

The invention relates to acetamide compounds and a use thereof, and discloses N-(4-substituted phenethyl) acetamide compounds with a novel structure. A result of in-vitro activity test experiments shows that the compounds have inhibitory activity against

Antibacterial activity and mechanism of action of the benzazole acrylonitrile-based compounds: In?vitro, spectroscopic, and docking studies

A new series of pyrimidine derivatives 5, 9a-d and 12a-d was synthesized by an efficient procedure. The antibacterial activity of the new compounds was studied against four bacterial strains. Compound 5 was found to exhibit the highest potency, with?=?1.0?μg/ml, against both Escherichia coli and Pseudomonas aeruginosa when compared with amoxicillin (MIC?=?1.0–1.5?μg/mL). Transmission electron microscope results confirmed that activities against bacteria occurred via rupturing of the cell wall. Molecular modeling results suggested that compounds 5, 9a-d and 12a-d have the potential to irreversibly bind to the penicillin-binding protein (PBP) Ser62 residue in the active site and were able to overcome amoxicillin resistance in bacteria by inhibiting the β-lactamase enzyme. Docking studies showed that compounds 5, 9a-d and 12a-d inhibit the β-lactamase enzyme through covalent bonding with Ser70. The synergistic effect with amoxicillin was studied. The newly synthesized compounds reported in this study warrant further consideration as prospective antimicrobial agents.