![{4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine structure](/static/products/716/716331-77-0.png)
{4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine
TL;DR: {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine (CAS 716331-77-0) 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.
2-N-benzyl-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
Also Known As: UPCMLD0ENAT5865466:001, {4-amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine, 2-N-benzyl-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine, N-benzyl-6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidine-2,4-diamine, N~2~-benzyl-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidine-2,4-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 | 716331-77-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC(=C3[N+](=O)[O-])N)NCC4=CC=CC=C4 |
Product Overview
{4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine (CAS 716331-77-0), with molecular formula C22H25N7O2 and molecular weight 419.21 g/mol. IUPAC: 2-N-benzyl-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine
Property Insights of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine
The XLogP value of 2.9013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine. The TPSA of 113.45 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine. Following Lipinski's Rule of Five, {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-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 {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine?
The CAS number of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine is 716331-77-0.
What is the molecular formula of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine?
The molecular formula of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine is C22H25N7O2.
What is the molecular weight of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine?
The molecular weight of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine is 419.21 g/mol.
Where can I buy {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine?
You can request a quote for {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine?
Yes, KEHONG BIO provides custom synthesis services for {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.