6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine
TL;DR: 6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CAS 674363-55-4) is a chemical compound with molecular formula C22H30N6O2 and molecular weight 410.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Also Known As: 6-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine, 6-(azepan-1-yl)-2-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-amine, 6-azaperhydroepinyl-5-nitro-2-[4-benzylpiperidyl]pyrimidine-4-ylamine
| Molecular Formula | C22H30N6O2 |
|---|---|
| Molecular Weight | 410.24 g/mol |
| LogP | 3.8065 |
| Topological Polar Surface Area | 101.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.243 |
| Heavy Atoms | 30 |
| Complexity | 859.4315 |
Chemical Identifiers
| CAS Number | 674363-55-4 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NC(=NC(=C2[N+](=O)[O-])N)N3CCC(CC3)CC4=CC=CC=C4 |
Product Overview
6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CAS 674363-55-4), with molecular formula C22H30N6O2 and molecular weight 410.24 g/mol. IUPAC: 6-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine.
Chemical Property Profile of 6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Property Insights of 6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine
The XLogP value of 3.8065 indicates that 6-(Azepan-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 101.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine. Following Lipinski's Rule of Five, 6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine has 1 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-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The CAS number of 6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine is 674363-55-4.
What is the molecular formula of 6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The molecular formula of 6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine is C22H30N6O2.
What is the molecular weight of 6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The molecular weight of 6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine is 410.24 g/mol.
Where can I buy 6-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
You can request a quote for 6-(Azepan-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-(Azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Azepan-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.