6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine
TL;DR: 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine (CAS 714286-12-1) is a chemical compound with molecular formula C17H23N7O2 and molecular weight 357.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-ethylpiperazin-1-yl)-2-N-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine
Also Known As: UPCMLD0ENAT5866619:001, 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine, 6-(4-ethylpiperazin-1-yl)-5-nitro-N2-(p-tolyl)pyrimidine-2,4-diamine, [4-amino-6-(4-ethylpiperazinyl)-5-nitropyrimidin-2-yl](4-methylphenyl)amine, 6-(4-ethylpiperazin-1-yl)-2-N-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine
| Molecular Formula | C17H23N7O2 |
|---|---|
| Molecular Weight | 357.19 g/mol |
| LogP | 2.16092 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.1913 |
| Heavy Atoms | 26 |
| Complexity | 786.44354 |
Chemical Identifiers
| CAS Number | 714286-12-1 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=C(C=C3)C |
Product Overview
6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine (CAS 714286-12-1), with molecular formula C17H23N7O2 and molecular weight 357.19 g/mol. IUPAC: 6-(4-ethylpiperazin-1-yl)-2-N-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine
Property Insights of 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine
The XLogP value of 2.16092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine. The TPSA of 113.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-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-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine?
The CAS number of 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine is 714286-12-1.
What is the molecular formula of 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine?
The molecular formula of 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine is C17H23N7O2.
What is the molecular weight of 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine?
The molecular weight of 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine is 357.19 g/mol.
Where can I buy 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine?
You can request a quote for 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-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-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.