![{6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine structure](/static/products/674/674817-30-2.png)
{6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine
TL;DR: {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine (CAS 674817-30-2) is a chemical compound with molecular formula C21H23N7O2 and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazin-1-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
Also Known As: 2-(4-BENZYLPIPERAZIN-1-YL)-5-NITRO-N4-PHENYLPYRIMIDINE-4,6-DIAMINE, {6-amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine, 2-(4-benzylpiperazin-1-yl)-5-nitro-N-phenylpyrimidine-4,6-diamine, 2-(4-benzylpiperazin-1-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine, 2-(4-benzylpiperazin-1-yl)-5-nitro-N-phenyl-pyrimidine-4,6-diamine
| Molecular Formula | C21H23N7O2 |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 3.0328 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.1913 |
| Heavy Atoms | 30 |
| Complexity | 1006.6233 |
Chemical Identifiers
| CAS Number | 674817-30-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC(=C(C(=N3)NC4=CC=CC=C4)[N+](=O)[O-])N |
Product Overview
{6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine (CAS 674817-30-2), with molecular formula C21H23N7O2 and molecular weight 405.19 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine.
Chemical Property Profile of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine
Property Insights of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine
The XLogP value of 3.0328 indicates that {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.45 Ų falls within the moderate polarity range, balancing permeability and solubility for {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine. Following Lipinski's Rule of Five, {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine 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-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine?
The CAS number of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine is 674817-30-2.
What is the molecular formula of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine?
The molecular formula of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine is C21H23N7O2.
What is the molecular weight of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine?
The molecular weight of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine is 405.19 g/mol.
Where can I buy {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine?
You can request a quote for {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine?
Yes, KEHONG BIO provides custom synthesis services for {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}phenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.