2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine
TL;DR: 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine (CAS 836634-07-2) 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.
4-N-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Also Known As: 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine, 4-N-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine, [6-amino-2-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine, 2-(4-methylpiperazin-1-yl)-5-nitro-N4-(m-tolyl)pyrimidine-4,6-diamine, [6-amino-2-(4-methylpiperazinyl)-5-nitropyrimidin-4-yl](3-methylphenyl)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 | 836634-07-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCN(CC3)C |
Product Overview
2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine (CAS 836634-07-2), with molecular formula C16H21N7O2 and molecular weight 343.18 g/mol. IUPAC: 4-N-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine
Property Insights of 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine
The XLogP value of 1.77082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine. The TPSA of 113.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-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-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine?
The CAS number of 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine is 836634-07-2.
What is the molecular formula of 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine?
The molecular formula of 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine is C16H21N7O2.
What is the molecular weight of 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine?
The molecular weight of 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine is 343.18 g/mol.
Where can I buy 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine?
You can request a quote for 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-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-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methyl-piperazin-1-yl)-5-nitro-N-m-tolyl-pyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.