6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
TL;DR: 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine (CAS 714947-21-4) is a chemical compound with molecular formula C20H28N8O2 and molecular weight 412.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Also Known As: AO-022/43455270, 6-(4-benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine, 6-(4-benzyl-1-piperazinyl)-2-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinylamine, 6-(4-benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine
| Molecular Formula | C20H28N8O2 |
|---|---|
| Molecular Weight | 412.23 g/mol |
| LogP | 1.041 |
| Topological Polar Surface Area | 107.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.23352 |
| Heavy Atoms | 30 |
| Complexity | 877.87524 |
Chemical Identifiers
| CAS Number | 714947-21-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC(=C(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])N |
Product Overview
6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine (CAS 714947-21-4), with molecular formula C20H28N8O2 and molecular weight 412.23 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine.
Chemical Property Profile of 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Property Insights of 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
The XLogP value of 1.041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine. The TPSA of 107.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine. Following Lipinski's Rule of Five, 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine has 1 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 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The CAS number of 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine is 714947-21-4.
What is the molecular formula of 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The molecular formula of 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine is C20H28N8O2.
What is the molecular weight of 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The molecular weight of 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine is 412.23 g/mol.
Where can I buy 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
You can request a quote for 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Benzylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.