![{4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine structure](/static/products/714/714244-61-8.png)
{4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine
TL;DR: {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine (CAS 714244-61-8) is a chemical compound with molecular formula C21H22FN7O2 and molecular weight 423.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)-2-N-(3-fluorophenyl)-5-nitropyrimidine-2,4-diamine
Also Known As: {4-amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine, 6-(4-benzylpiperazin-1-yl)-2-N-(3-fluorophenyl)-5-nitropyrimidine-2,4-diamine, 6-(4-benzylpiperazin-1-yl)-N-(3-fluorophenyl)-5-nitro-pyrimidine-2,4-diamine, 6-(4-benzylpiperazin-1-yl)-N2-(3-fluorophenyl)-5-nitropyrimidine-2,4-diamine, (2Z)-6-(4-benzylpiperazin-1-yl)-2-[(3-fluorophenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-amine
| Molecular Formula | C21H22FN7O2 |
|---|---|
| Molecular Weight | 423.18 g/mol |
| LogP | 3.1719 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.18192 |
| Heavy Atoms | 31 |
| Complexity | 1072.5784 |
Chemical Identifiers
| CAS Number | 714244-61-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC(=C3[N+](=O)[O-])N)NC4=CC(=CC=C4)F |
Product Overview
{4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine (CAS 714244-61-8), with molecular formula C21H22FN7O2 and molecular weight 423.18 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-2-N-(3-fluorophenyl)-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine
Property Insights of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine
The XLogP value of 3.1719 indicates that {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine 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 {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine. Following Lipinski's Rule of Five, {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine 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}(3-fluorophenyl)amine?
The CAS number of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine is 714244-61-8.
What is the molecular formula of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine?
The molecular formula of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine is C21H22FN7O2.
What is the molecular weight of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine?
The molecular weight of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine is 423.18 g/mol.
Where can I buy {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine?
You can request a quote for {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine 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}(3-fluorophenyl)amine?
Yes, KEHONG BIO provides custom synthesis services for {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-fluorophenyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.