N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
TL;DR: N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine (CAS 674357-97-2) 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.
4-N-(4-ethoxyphenyl)-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine
Also Known As: N4-(4-ethoxyphenyl)-N2-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine, (6-amino-2-{[(4-methylphenyl)methyl]amino}-5-nitropyrimidin-4-yl)(4-ethoxyphen yl)amine, 4-N-(4-ethoxyphenyl)-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine, N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
| Molecular Formula | C20H22N6O3 |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 4.02982 |
| Topological Polar Surface Area | 128.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.17532 |
| Heavy Atoms | 29 |
| Complexity | 990.3484 |
Chemical Identifiers
| CAS Number | 674357-97-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)C |
Product Overview
N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine (CAS 674357-97-2), with molecular formula C20H22N6O3 and molecular weight 394.18 g/mol. IUPAC: 4-N-(4-ethoxyphenyl)-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
Property Insights of N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 4.02982 indicates that N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine has 3 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 N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine?
The CAS number of N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine is 674357-97-2.
What is the molecular formula of N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine is C20H22N6O3.
What is the molecular weight of N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine is 394.18 g/mol.
Where can I buy N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-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~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.