2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
TL;DR: 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine (CAS 587000-88-2) is a chemical compound with molecular formula C21H30N8O2 and molecular weight 426.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Also Known As: 2-(4-benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine, UPCMLD0ENAT5866616:001, F2678-0199, 6-(4-ethylpiperazinyl)-5-nitro-2-[4-benzylpiperazinyl]pyrimidine-4-ylamine, 2-(4-benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine
| Molecular Formula | C21H30N8O2 |
|---|---|
| Molecular Weight | 426.25 g/mol |
| LogP | 1.4311 |
| Topological Polar Surface Area | 107.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.24918 |
| Heavy Atoms | 31 |
| Complexity | 893.7528 |
Chemical Identifiers
| CAS Number | 587000-88-2 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC(=NC(=C2[N+](=O)[O-])N)N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine (CAS 587000-88-2), with molecular formula C21H30N8O2 and molecular weight 426.25 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine.
Chemical Property Profile of 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Property Insights of 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
The XLogP value of 1.4311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine. The TPSA of 107.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine. Following Lipinski's Rule of Five, 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine has 1 hydrogen bond donor(s) and 9 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-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The CAS number of 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine is 587000-88-2.
What is the molecular formula of 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The molecular formula of 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine is C21H30N8O2.
What is the molecular weight of 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The molecular weight of 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine is 426.25 g/mol.
Where can I buy 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
You can request a quote for 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.