![{6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine structure](/static/products/840/840458-76-6.png)
{6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine
TL;DR: {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine (CAS 840458-76-6) is a chemical compound with molecular formula C23H26N6O2 and molecular weight 418.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperidin-1-yl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
Also Known As: {6-amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine, 2-(4-benzylpiperidin-1-yl)-5-nitro-N4-(m-tolyl)pyrimidine-4,6-diamine, 2-(4-benzylpiperidin-1-yl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine, 2-(4-benzylpiperidin-1-yl)-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
| Molecular Formula | C23H26N6O2 |
|---|---|
| Molecular Weight | 418.21 g/mol |
| LogP | 4.47812 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.21173 |
| Heavy Atoms | 31 |
| Complexity | 1064.9167 |
Chemical Identifiers
| CAS Number | 840458-76-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCC(CC3)CC4=CC=CC=C4 |
Product Overview
{6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine (CAS 840458-76-6), with molecular formula C23H26N6O2 and molecular weight 418.21 g/mol. IUPAC: 2-(4-benzylpiperidin-1-yl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine
Property Insights of {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine
The XLogP value of 4.47812 indicates that {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.21 Ų falls within the moderate polarity range, balancing permeability and solubility for {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine. Following Lipinski's Rule of Five, {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine 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 {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine?
The CAS number of {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine is 840458-76-6.
What is the molecular formula of {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine?
The molecular formula of {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine is C23H26N6O2.
What is the molecular weight of {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine?
The molecular weight of {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine is 418.21 g/mol.
Where can I buy {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine?
You can request a quote for {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-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-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine?
Yes, KEHONG BIO provides custom synthesis services for {6-Amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(3-methylphenyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.