2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
TL;DR: 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine (CAS 578750-52-4) is a chemical compound with molecular formula C18H24N6O2 and molecular weight 356.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
Also Known As: 2-(azepan-1-yl)-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine, 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine, (6-amino-2-azaperhydroepinyl-5-nitropyrimidin-4-yl)(3,4-dimethylphenyl)amine, 2-(AZEPAN-1-YL)-N4-(3,4-DIMETHYLPHENYL)-5-NITROPYRIMIDINE-4,6-DIAMINE
| Molecular Formula | C18H24N6O2 |
|---|---|
| Molecular Weight | 356.20 g/mol |
| LogP | 3.70784 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.19608 |
| Heavy Atoms | 26 |
| Complexity | 815.5689 |
Chemical Identifiers
| CAS Number | 578750-52-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCCCC3)C |
Product Overview
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine (CAS 578750-52-4), with molecular formula C18H24N6O2 and molecular weight 356.20 g/mol. IUPAC: 2-(azepan-1-yl)-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
Property Insights of 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
The XLogP value of 3.70784 indicates that 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine?
The CAS number of 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine is 578750-52-4.
What is the molecular formula of 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine?
The molecular formula of 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine is C18H24N6O2.
What is the molecular weight of 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine?
The molecular weight of 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine is 356.20 g/mol.
Where can I buy 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine?
You can request a quote for 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.