N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
TL;DR: N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine (CAS 450345-65-0) is a chemical compound with molecular formula C13H15N5O2 and molecular weight 273.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
Also Known As: F0543-0206, N4-ethyl-5-nitro-N4-(m-tolyl)pyrimidine-4,6-diamine, N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine, 6-amino-4-[N-ethyl(m-tolyl)amino]-5-nitropyrimidine, 4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
| Molecular Formula | C13H15N5O2 |
|---|---|
| Molecular Weight | 273.12 g/mol |
| LogP | 2.43342 |
| Topological Polar Surface Area | 98.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.1226 |
| Heavy Atoms | 20 |
| Complexity | 644.4087 |
Chemical Identifiers
| CAS Number | 450345-65-0 |
|---|---|
| SMILES | CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])N |
Product Overview
N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine (CAS 450345-65-0), with molecular formula C13H15N5O2 and molecular weight 273.12 g/mol. IUPAC: 4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
Property Insights of N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
The XLogP value of 2.43342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine. The TPSA of 98.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine has 1 hydrogen bond donor(s) and 6 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-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine?
The CAS number of N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine is 450345-65-0.
What is the molecular formula of N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine?
The molecular formula of N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine is C13H15N5O2.
What is the molecular weight of N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine?
The molecular weight of N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine is 273.12 g/mol.
Where can I buy N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine?
You can request a quote for N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-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 N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.