6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine
TL;DR: 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine (CAS 674357-13-2) is a chemical compound with molecular formula C23H25ClN6O2 and molecular weight 452.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperidin-1-yl)-2-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine
Also Known As: {4-amino-5-nitro-6-[4-benzylpiperidyl]pyrimidin-2-yl}[(4-chlorophenyl)methyl]a mine, 6-(4-benzyl-1-piperidyl)-N-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine, 6-(4-benzylpiperidin-1-yl)-2-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine, 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine, 6-(4-benzylpiperidin-1-yl)-N2-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine
| Molecular Formula | C23H25ClN6O2 |
|---|---|
| Molecular Weight | 452.17 g/mol |
| LogP | 4.6916 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.17276 |
| Heavy Atoms | 32 |
| Complexity | 1069.8496 |
Chemical Identifiers
| CAS Number | 674357-13-2 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C3=NC(=NC(=C3[N+](=O)[O-])N)NCC4=CC=C(C=C4)Cl |
Product Overview
6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine (CAS 674357-13-2), with molecular formula C23H25ClN6O2 and molecular weight 452.17 g/mol. IUPAC: 6-(4-benzylpiperidin-1-yl)-2-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine
Property Insights of 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine
The XLogP value of 4.6916 indicates that 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine has 2 hydrogen bond donor(s) and 7 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-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine?
The CAS number of 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine is 674357-13-2.
What is the molecular formula of 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine?
The molecular formula of 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine is C23H25ClN6O2.
What is the molecular weight of 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine?
The molecular weight of 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine is 452.17 g/mol.
Where can I buy 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine?
You can request a quote for 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.