![{4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine structure](/static/products/587/587004-55-5.png)
{4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine
TL;DR: {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine (CAS 587004-55-5) is a chemical compound with molecular formula C20H22N6O3 and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-benzyl-4-N-(4-ethoxyphenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine
Also Known As: {4-amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine, N2-benzyl-N4-(4-ethoxyphenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine, 2-N-benzyl-4-N-(4-ethoxyphenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine, N~2~-benzyl-N~4~-(4-ethoxyphenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
| Molecular Formula | C20H22N6O3 |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 3.7457 |
| Topological Polar Surface Area | 119.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.17532 |
| Heavy Atoms | 29 |
| Complexity | 979.51166 |
Chemical Identifiers
| CAS Number | 587004-55-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N(C)CC3=CC=CC=C3 |
Product Overview
{4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine (CAS 587004-55-5), with molecular formula C20H22N6O3 and molecular weight 394.18 g/mol. IUPAC: 2-N-benzyl-4-N-(4-ethoxyphenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine
Property Insights of {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine
The XLogP value of 3.7457 indicates that {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.44 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine. Following Lipinski's Rule of Five, {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine has 2 hydrogen bond donor(s) and 8 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-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine?
The CAS number of {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine is 587004-55-5.
What is the molecular formula of {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine?
The molecular formula of {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine is C20H22N6O3.
What is the molecular weight of {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine?
The molecular weight of {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine is 394.18 g/mol.
Where can I buy {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine?
You can request a quote for {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine?
Yes, KEHONG BIO provides custom synthesis services for {4-Amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}methylbenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.