N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
TL;DR: N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine (CAS 674818-11-2) is a chemical compound with molecular formula C16H21N7O2 and molecular weight 343.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
Also Known As: 2-N-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine, N-benzyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-2,4-diamine, N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine, N2-BENZYL-6-(4-METHYLPIPERAZIN-1-YL)-5-NITROPYRIMIDINE-2,4-DIAMINE
| Molecular Formula | C16H21N7O2 |
|---|---|
| Molecular Weight | 343.18 g/mol |
| LogP | 1.3309 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.17566 |
| Heavy Atoms | 25 |
| Complexity | 745.6485 |
Chemical Identifiers
| CAS Number | 674818-11-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3 |
Product Overview
N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine (CAS 674818-11-2), with molecular formula C16H21N7O2 and molecular weight 343.18 g/mol. IUPAC: 2-N-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
Property Insights of N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
The XLogP value of 1.3309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine. The TPSA of 113.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine. Following Lipinski's Rule of Five, N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-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 N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine?
The CAS number of N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine is 674818-11-2.
What is the molecular formula of N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine?
The molecular formula of N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine is C16H21N7O2.
What is the molecular weight of N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine?
The molecular weight of N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine is 343.18 g/mol.
Where can I buy N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine?
You can request a quote for N~2~-benzyl-6-(4-methylpiperazin-1-yl)-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 N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-benzyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.