3977-15-9

Basic information

• Product Name: 2-amino-6-methyl-5-(3-phenylpropyl)pyrimidin-4(1H)-one
• CAS NO: 3977-15-9
• Molecular Formula: C₁₄H₁₇N₃O
• Molecular Weight: 243.3043
• Mol File: 3977-15-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 410.8°C at 760 mmHg
• Flash Point: 202.3°C
• Density: 1.19g/cm³
• Vapor Pressure: 5.85E-07mmHg at 25°C
• Refractive Index: 1.61
• CAS DataBase Reference: 2-amino-6-methyl-5-(3-phenylpropyl)pyrimidin-4(1H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-amino-6-methyl-5-(3-phenylpropyl)pyrimidin-4(1H)-one(3977-15-9)
• EPA Substance Registry System: 2-amino-6-methyl-5-(3-phenylpropyl)pyrimidin-4(1H)-one(3977-15-9)

Safety Data

• Hazardous Substances Data: 3977-15-9(Hazardous Substances Data)

Usage

Chemical compound

2-amino-6-methyl-5-(3-phenylpropyl)pyrimidin-4(1H)-one

Substituent group

3-phenylpropyl attached to the 5th carbon atom

Core structure

pyrimidinone
Commonly found in nucleic acids and their derivatives
Exhibits biological activity
Potential applications in medicinal chemistry and pharmaceutical development
Further research needed for full understanding of properties and potential uses

Upstream product

• 32798-47-3 2-acetyl-5-phenyl-pentanoic acid ethyl ester 
• 124-46-9 guanidine hydrogen carbonate 

Downstream Products

• 3977-17-1 6-methyl-5-(3-phenyl-propyl)-pyrimidine-2,4-diamine 
• 501657-66-5 2-amino-4-chloro-6-methyl-5-(3-phenylpropyl)pyrimidine 

Relevant articles and documents

Folate-Synthesizing Enzyme System as Target for Development of Inhibitors and Inhibitor Combinations against Candida albicans - Synthesis and Biological Activity of New 2,4-Diaminopyrimidines and 4′-Substituted 4-Aminodiphenyl Sulfones

The paper describes the design, synthesis, and testing of inhibitors of folate-synthesizing enzymes and of whole cell cultures of Candida albicans. The target enzymes used were dihydropteroic acid synthase (SYN) and dihydrofolate reductase (DHFR). Several series of new 2,4-diaminopyrimidines were synthesized and tested as inhibitors of DHFR and compared with their activity against DHFR derived from mycobacteria and Escherichia coli. To test for selectivity, also rat DHFR was used. A series of substituted 4-aminodiphenyl sulfones was tested for inhibitory activity against SYN and the I50 values compared to those obtained previously against Plasmodium berghei- and E. coll-derived SYN. Surprisingly, QSAR equations show very similar structural dependencies. To find an explanation for the large difference in the I50 values observed for enzyme inhibition (SYN, DHFR) and for inhibition of cell cultures of Candida, mutant strains with overexpressed efflux pumps and strains in which such pumps are deleted were included in the study and the MICs compared. Efflux pumps were responsible for the low activity of some of the tested derivatives, others showed no increase in activity after pumps were knocked out. In this case it may be speculated that these derivatives are not able to enter the cells.