6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine
TL;DR: 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine (CAS 673454-89-2) is a chemical compound with molecular formula C15H20N6O3 and molecular weight 332.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine
Also Known As: 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine, 6-(azepan-1-yl)-N2-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine, 6-Azepan-1-yl-N*2*-furan-2-ylmethyl-5-nitro-pyrimidine-2,4-diamine, 6-(1-azepanyl)-N2-(2-furanylmethyl)-5-nitropyrimidine-2,4-diamine, (4-amino-6-azaperhydroepinyl-5-nitropyrimidin-2-yl)(2-furylmethyl)amine
| Molecular Formula | C15H20N6O3 |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 2.5525 |
| Topological Polar Surface Area | 123.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.1597 |
| Heavy Atoms | 24 |
| Complexity | 695.485 |
Chemical Identifiers
| CAS Number | 673454-89-2 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3 |
Product Overview
6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine (CAS 673454-89-2), with molecular formula C15H20N6O3 and molecular weight 332.16 g/mol. IUPAC: 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine
Property Insights of 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine
The XLogP value of 2.5525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine. The TPSA of 123.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-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)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine?
The CAS number of 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine is 673454-89-2.
What is the molecular formula of 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine?
The molecular formula of 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine is C15H20N6O3.
What is the molecular weight of 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine?
The molecular weight of 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine is 332.16 g/mol.
Where can I buy 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine?
You can request a quote for 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-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)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.