![{6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine structure](/static/products/578/578697-49-1.png)
{6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine
TL;DR: {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine (CAS 578697-49-1) is a chemical compound with molecular formula C22H25N7O2 and molecular weight 419.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazin-1-yl)-4-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine
Also Known As: 2-(4-benzylpiperazin-1-yl)-5-nitro-N4-(p-tolyl)pyrimidine-4,6-diamine, {6-amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine, 2-(4-benzylpiperazin-1-yl)-4-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine, 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-5-nitro-pyrimidine-4,6-diamine, 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine
| Molecular Formula | C22H25N7O2 |
|---|---|
| Molecular Weight | 419.21 g/mol |
| LogP | 3.34122 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.20697 |
| Heavy Atoms | 31 |
| Complexity | 1049.4595 |
Chemical Identifiers
| CAS Number | 578697-49-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
{6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine (CAS 578697-49-1), with molecular formula C22H25N7O2 and molecular weight 419.21 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)-4-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine
Property Insights of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine
The XLogP value of 3.34122 indicates that {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.45 Ų falls within the moderate polarity range, balancing permeability and solubility for {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine. Following Lipinski's Rule of Five, {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine 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 {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine?
The CAS number of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine is 578697-49-1.
What is the molecular formula of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine?
The molecular formula of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine is C22H25N7O2.
What is the molecular weight of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine?
The molecular weight of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine is 419.21 g/mol.
Where can I buy {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine?
You can request a quote for {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine?
Yes, KEHONG BIO provides custom synthesis services for {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(4-methylphenyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.