6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine
TL;DR: 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine (CAS 676157-80-5) is a chemical compound with molecular formula C17H22N6O2 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(azepan-1-yl)-2-N-benzyl-5-nitropyrimidine-2,4-diamine
Also Known As: 6-(azepan-1-yl)-2-N-benzyl-5-nitropyrimidine-2,4-diamine, 6-(AZEPAN-1-YL)-N2-BENZYL-5-NITROPYRIMIDINE-2,4-DIAMINE, (4-amino-6-azaperhydroepinyl-5-nitropyrimidin-2-yl)benzylamine, 6-(azepan-1-yl)-N~2~-benzyl-5-nitropyrimidine-2,4-diamine
| Molecular Formula | C17H22N6O2 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 2.9595 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.18042 |
| Heavy Atoms | 25 |
| Complexity | 729.41797 |
Chemical Identifiers
| CAS Number | 676157-80-5 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3 |
Product Overview
6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine (CAS 676157-80-5), with molecular formula C17H22N6O2 and molecular weight 342.18 g/mol. IUPAC: 6-(azepan-1-yl)-2-N-benzyl-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine
Property Insights of 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine
The XLogP value of 2.9595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine. The TPSA of 110.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine 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-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine?
The CAS number of 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine is 676157-80-5.
What is the molecular formula of 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine?
The molecular formula of 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine is C17H22N6O2.
What is the molecular weight of 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine?
The molecular weight of 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine is 342.18 g/mol.
Where can I buy 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine?
You can request a quote for 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine 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)-N2-benzyl-5-nitropyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Azepan-1-YL)-N2-benzyl-5-nitropyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.