6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine
TL;DR: 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CAS 577761-67-2) is a chemical compound with molecular formula C27H33N7O2 and molecular weight 487.27 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-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Also Known As: 6-(4-benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine, 5-nitro-6-[4-benzylpiperazinyl]-2-[4-benzylpiperidyl]pyrimidine-4-ylamine, 6-(4-benzylpiperazin-1-yl)-2-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-amine
| Molecular Formula | C27H33N7O2 |
|---|---|
| Molecular Weight | 487.27 g/mol |
| LogP | 3.7483 |
| Topological Polar Surface Area | 104.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.26956 |
| Heavy Atoms | 36 |
| Complexity | 1159.4995 |
Chemical Identifiers
| CAS Number | 577761-67-2 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C3=NC(=C(C(=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-])N |
Product Overview
6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CAS 577761-67-2), with molecular formula C27H33N7O2 and molecular weight 487.27 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine.
Chemical Property Profile of 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Property Insights of 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine
The XLogP value of 3.7483 indicates that 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine. Following Lipinski's Rule of Five, 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine has 1 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-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The CAS number of 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine is 577761-67-2.
What is the molecular formula of 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The molecular formula of 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine is C27H33N7O2.
What is the molecular weight of 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The molecular weight of 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine is 487.27 g/mol.
Where can I buy 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
You can request a quote for 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-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-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.