![4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one structure](/static/products/775/775291-76-4.png)
4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
TL;DR: 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one (CAS 775291-76-4) is a chemical compound with molecular formula C21H19ClN6O3 and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloro-5-nitrophenyl)-2-(2,4-dimethylanilino)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
Also Known As: 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one, 2-[(2,4-dimethylphenyl)amino]-4-(2-chloro-5-nitrophenyl)-8-methyl-5-hydro-1H,4 H-pyrimidino[2,1-b]1,3,5-triazin-6-one, 4-(2-chloro-5-nitrophenyl)-2-((2,4-dimethylphenyl)amino)-8-methyl-1H-pyrimido[1,2-a][1,3,5]triazin-6(4H)-one, 4-(2-chloro-5-nitrophenyl)-2-(2,4-dimethylanilino)-8-methyl-4,9-dihydropyrimido[1,2-a][1,3,5]triazin-6-one, 4-(2-CHLORO-5-NITROPHENYL)-2-[(2,4-DIMETHYLPHENYL)AMINO]-8-METHYL-1H,4H,6H-PYRIMIDO[1,2-A][1,3,5]TRIAZIN-6-ONE
| Molecular Formula | C21H19ClN6O3 |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 4.17066 |
| Topological Polar Surface Area | 114.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.12073 |
| Heavy Atoms | 31 |
| Complexity | 1300.7579 |
Chemical Identifiers
| CAS Number | 775291-76-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=NC(N3C(=O)C=C(N=C3N2)C)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C |
Product Overview
4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one (CAS 775291-76-4), with molecular formula C21H19ClN6O3 and molecular weight 438.12 g/mol. IUPAC: 4-(2-chloro-5-nitrophenyl)-2-(2,4-dimethylanilino)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
Chemical Property Profile of 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Property Insights of 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
The XLogP value of 4.17066 indicates that 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one. Following Lipinski's Rule of Five, 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one?
The CAS number of 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one is 775291-76-4.
What is the molecular formula of 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one?
The molecular formula of 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one is C21H19ClN6O3.
What is the molecular weight of 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one?
The molecular weight of 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one is 438.12 g/mol.
Where can I buy 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one?
You can request a quote for 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-chloro-5-nitrophenyl)-2-[(2,4-dimethylphenyl)amino]-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.