6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine
TL;DR: 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine (CAS 673497-99-9) is a chemical compound with molecular formula C14H24N6O3 and molecular weight 324.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(azepan-1-yl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine
Also Known As: 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine, 6-(azepan-1-yl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine, 6-(azepan-1-yl)-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine, (4-amino-6-azaperhydroepinyl-5-nitropyrimidin-2-yl)(3-methoxypropyl)amine
| Molecular Formula | C14H24N6O3 |
|---|---|
| Molecular Weight | 324.19 g/mol |
| LogP | 1.7958 |
| Topological Polar Surface Area | 119.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.19098 |
| Heavy Atoms | 23 |
| Complexity | 531.489 |
Chemical Identifiers
| CAS Number | 673497-99-9 |
|---|---|
| SMILES | COCCCNC1=NC(=C(C(=N1)N2CCCCCC2)[N+](=O)[O-])N |
Product Overview
6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine (CAS 673497-99-9), with molecular formula C14H24N6O3 and molecular weight 324.19 g/mol. IUPAC: 6-(azepan-1-yl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine
Property Insights of 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine
The XLogP value of 1.7958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine. The TPSA of 119.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine has 2 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-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine?
The CAS number of 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine is 673497-99-9.
What is the molecular formula of 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine?
The molecular formula of 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine is C14H24N6O3.
What is the molecular weight of 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine?
The molecular weight of 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine is 324.19 g/mol.
Where can I buy 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine?
You can request a quote for 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-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)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-(azepan-1-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.