6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine
TL;DR: 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine (CAS 714946-00-6) 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-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
Also Known As: 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine, 6-(4-methylpiperazin-1-yl)-5-nitro-N2-(m-tolyl)pyrimidine-2,4-diamine, 2-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine, (2Z)-2-[(3-methylphenyl)imino]-6-(4-methylpiperazin-1-yl)-5-nitro-1,2-dihydropyrimidin-4-amine
| Molecular Formula | C16H21N7O2 |
|---|---|
| Molecular Weight | 343.18 g/mol |
| LogP | 1.77082 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.17566 |
| Heavy Atoms | 25 |
| Complexity | 788.04785 |
Chemical Identifiers
| CAS Number | 714946-00-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)N3CCN(CC3)C)[N+](=O)[O-])N |
Product Overview
6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine (CAS 714946-00-6), with molecular formula C16H21N7O2 and molecular weight 343.18 g/mol. IUPAC: 2-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine
Property Insights of 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine
The XLogP value of 1.77082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine. The TPSA of 113.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-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-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine?
The CAS number of 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine is 714946-00-6.
What is the molecular formula of 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine?
The molecular formula of 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine is C16H21N7O2.
What is the molecular weight of 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine?
The molecular weight of 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine is 343.18 g/mol.
Where can I buy 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine?
You can request a quote for 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-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-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Methyl-piperazin-1-yl)-5-nitro-N*2*-m-tolyl-pyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.