N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine
TL;DR: N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine (CAS 713091-18-0) is a chemical compound with molecular formula C19H20N6O4 and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: N4-benzyl-N2-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine, 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine, N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine, {4-amino-5-nitro-6-[benzylamino]pyrimidin-2-yl}(2,5-dimethoxyphenyl)amine, N~4~-benzyl-N~2~-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
| Molecular Formula | C19H20N6O4 |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 3.3399 |
| Topological Polar Surface Area | 137.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.1546 |
| Heavy Atoms | 29 |
| Complexity | 1013.08124 |
Chemical Identifiers
| CAS Number | 713091-18-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N |
Product Overview
N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine (CAS 713091-18-0), with molecular formula C19H20N6O4 and molecular weight 396.15 g/mol. IUPAC: 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine
Property Insights of N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine
The XLogP value of 3.3399 indicates that N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.46 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine has 3 hydrogen bond donor(s) and 9 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 N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine?
The CAS number of N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine is 713091-18-0.
What is the molecular formula of N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine?
The molecular formula of N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine is C19H20N6O4.
What is the molecular weight of N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine?
The molecular weight of N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine is 396.15 g/mol.
Where can I buy N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine?
You can request a quote for N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N'-Benzyl-N-(2,5-dimethoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.