6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine
TL;DR: 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine (CAS 673454-97-2) is a chemical compound with molecular formula C21H23N7O2 and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)-5-nitro-2-N-phenylpyrimidine-2,4-diamine
Also Known As: 6-(4-benzylpiperazin-1-yl)-5-nitro-2-N-phenylpyrimidine-2,4-diamine, 6-(4-benzylpiperazin-1-yl)-5-nitro-N-phenyl-pyrimidine-2,4-diamine, 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine, 6-(4-benzylpiperazin-1-yl)-5-nitro-N2-phenylpyrimidine-2,4-diamine
| Molecular Formula | C21H23N7O2 |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 3.0328 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.1913 |
| Heavy Atoms | 30 |
| Complexity | 1006.6233 |
Chemical Identifiers
| CAS Number | 673454-97-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC(=C3[N+](=O)[O-])N)NC4=CC=CC=C4 |
Product Overview
6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine (CAS 673454-97-2), with molecular formula C21H23N7O2 and molecular weight 405.19 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-5-nitro-2-N-phenylpyrimidine-2,4-diamine.
Chemical Property Profile of 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine
Property Insights of 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine
The XLogP value of 3.0328 indicates that 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-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 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-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 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine?
The CAS number of 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine is 673454-97-2.
What is the molecular formula of 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine?
The molecular formula of 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine is C21H23N7O2.
What is the molecular weight of 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine?
The molecular weight of 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine is 405.19 g/mol.
Where can I buy 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine?
You can request a quote for 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-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-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.