6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
TL;DR: 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CAS 714289-35-7) is a chemical compound with molecular formula C17H28N6O2 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Also Known As: 6-(azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
| Molecular Formula | C17H28N6O2 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 2.8297 |
| Topological Polar Surface Area | 101.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.2274 |
| Heavy Atoms | 25 |
| Complexity | 619.80927 |
Chemical Identifiers
| CAS Number | 714289-35-7 |
|---|---|
| SMILES | CC1CC(CN(C1)C2=NC(=C(C(=N2)N3CCCCCC3)[N+](=O)[O-])N)C |
Product Overview
6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CAS 714289-35-7), with molecular formula C17H28N6O2 and molecular weight 348.23 g/mol. IUPAC: 6-(azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine.
Chemical Property Profile of 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Property Insights of 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
The XLogP value of 2.8297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine. The TPSA of 101.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine. Following Lipinski's Rule of Five, 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-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-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The CAS number of 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine is 714289-35-7.
What is the molecular formula of 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The molecular formula of 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine is C17H28N6O2.
What is the molecular weight of 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The molecular weight of 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine is 348.23 g/mol.
Where can I buy 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
You can request a quote for 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-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-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Azepan-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.