2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
TL;DR: 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine (CAS 674366-82-6) is a chemical compound with molecular formula C16H19FN6O2 and molecular weight 346.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-4-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Also Known As: 2-(AZEPAN-1-YL)-N4-(3-FLUOROPHENYL)-5-NITROPYRIMIDINE-4,6-DIAMINE, 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine, (6-amino-2-azaperhydroepinyl-5-nitropyrimidin-4-yl)(3-fluorophenyl)amine, 2-(azepan-1-yl)-4-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
| Molecular Formula | C16H19FN6O2 |
|---|---|
| Molecular Weight | 346.16 g/mol |
| LogP | 3.2301 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.15536 |
| Heavy Atoms | 25 |
| Complexity | 777.2154 |
Chemical Identifiers
| CAS Number | 674366-82-6 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NC(=C(C(=N2)NC3=CC(=CC=C3)F)[N+](=O)[O-])N |
Product Overview
2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine (CAS 674366-82-6), with molecular formula C16H19FN6O2 and molecular weight 346.16 g/mol. IUPAC: 2-(azepan-1-yl)-4-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Property Insights of 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
The XLogP value of 3.2301 indicates that 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-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 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
The CAS number of 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine is 674366-82-6.
What is the molecular formula of 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
The molecular formula of 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine is C16H19FN6O2.
What is the molecular weight of 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
The molecular weight of 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine is 346.16 g/mol.
Where can I buy 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
You can request a quote for 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(azepan-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.