2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
TL;DR: 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine (CAS 674366-70-2) 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.
2-(4-benzylpiperazin-1-yl)-4-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Also Known As: 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine, 2-(4-benzylpiperazin-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine, F2678-0683, 2-(4-benzylpiperazin-1-yl)-4-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine, {6-amino-5-nitro-2-[4-benzylpiperazinyl]pyrimidin-4-yl}(3-fluorophenyl)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 | 674366-70-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC(=C(C(=N3)NC4=CC(=CC=C4)F)[N+](=O)[O-])N |
Product Overview
2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine (CAS 674366-70-2), with molecular formula C21H22FN7O2 and molecular weight 423.18 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)-4-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Property Insights of 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
The XLogP value of 3.1719 indicates that 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine 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 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine 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 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
The CAS number of 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine is 674366-70-2.
What is the molecular formula of 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
The molecular formula of 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine is C21H22FN7O2.
What is the molecular weight of 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
The molecular weight of 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine is 423.18 g/mol.
Where can I buy 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
You can request a quote for 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine 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)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-benzylpiperazin-1-yl)-N4-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.