4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine
TL;DR: 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine (CAS 840458-84-6) is a chemical compound with molecular formula C14H18N6O3 and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine, N~4~-benzyl-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine, N4-benzyl-N2-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine, {6-amino-2-[(2-methoxyethyl)amino]-5-nitropyrimidin-4-yl}benzylamine
| Molecular Formula | C14H18N6O3 |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 1.6374 |
| Topological Polar Surface Area | 128.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 318.14404 |
| Heavy Atoms | 23 |
| Complexity | 665.0622 |
Chemical Identifiers
| CAS Number | 840458-84-6 |
|---|---|
| SMILES | COCCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N |
Product Overview
4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine (CAS 840458-84-6), with molecular formula C14H18N6O3 and molecular weight 318.14 g/mol. IUPAC: 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine
Property Insights of 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 1.6374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine. The TPSA of 128.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine has 3 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 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine?
The CAS number of 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine is 840458-84-6.
What is the molecular formula of 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine is C14H18N6O3.
What is the molecular weight of 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine is 318.14 g/mol.
Where can I buy 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for 4-N-benzyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.