6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
TL;DR: 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine (CAS 673441-44-6) 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-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
Also Known As: 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine, 6-(azepan-1-yl)-N~2~-methyl-5-nitro-N~2~-phenylpyrimidine-2,4-diamine, (4-amino-6-azaperhydroepinyl-5-nitropyrimidin-2-yl)methylphenylamine, 6-(AZEPAN-1-YL)-N2-METHYL-5-NITRO-N2-PHENYLPYRIMIDINE-2,4-DIAMINE, 6-Azepan-1-yl-N*2*-methyl-5-nitro-N*2*-phenyl-pyrimidine-2,4-diamine
| Molecular Formula | C17H22N6O2 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 3.1153 |
| Topological Polar Surface Area | 101.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.18042 |
| Heavy Atoms | 25 |
| Complexity | 744.30334 |
Chemical Identifiers
| CAS Number | 673441-44-6 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)N3CCCCCC3)[N+](=O)[O-])N |
Product Overview
6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine (CAS 673441-44-6), with molecular formula C17H22N6O2 and molecular weight 342.18 g/mol. IUPAC: 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine.
Chemical Property Profile of 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
Property Insights of 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
The XLogP value of 3.1153 indicates that 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine 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-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
The CAS number of 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine is 673441-44-6.
What is the molecular formula of 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
The molecular formula of 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine is C17H22N6O2.
What is the molecular weight of 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
The molecular weight of 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine is 342.18 g/mol.
Where can I buy 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
You can request a quote for 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-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-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-(azepan-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.