![{6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine structure](/static/products/672/672943-67-8.png)
{6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine
TL;DR: {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine (CAS 672943-67-8) is a chemical compound with molecular formula C22H25N7O2 and molecular weight 419.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-2-(4-benzylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Also Known As: {6-amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine, N-benzyl-2-(4-benzylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine, 4-N-benzyl-2-(4-benzylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine, N-benzyl-2-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine, N4-BENZYL-2-(4-BENZYLPIPERAZIN-1-YL)-5-NITROPYRIMIDINE-4,6-DIAMINE
| Molecular Formula | C22H25N7O2 |
|---|---|
| Molecular Weight | 419.21 g/mol |
| LogP | 2.9013 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.20697 |
| Heavy Atoms | 31 |
| Complexity | 1022.78925 |
Chemical Identifiers
| CAS Number | 672943-67-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC(=C(C(=N3)NCC4=CC=CC=C4)[N+](=O)[O-])N |
Product Overview
{6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine (CAS 672943-67-8), with molecular formula C22H25N7O2 and molecular weight 419.21 g/mol. IUPAC: 4-N-benzyl-2-(4-benzylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine
Property Insights of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine
The XLogP value of 2.9013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine. 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}benzylamine. Following Lipinski's Rule of Five, {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine 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}benzylamine?
The CAS number of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine is 672943-67-8.
What is the molecular formula of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine?
The molecular formula of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine is C22H25N7O2.
What is the molecular weight of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine?
The molecular weight of {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine is 419.21 g/mol.
Where can I buy {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine?
You can request a quote for {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine 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}benzylamine?
Yes, KEHONG BIO provides custom synthesis services for {6-Amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.