2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol
TL;DR: 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol (CAS 450345-69-4) is a chemical compound with molecular formula C13H15N5O3 and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-amino-5-nitropyrimidin-4-yl)-benzylamino]ethanol
Also Known As: 2-[(6-amino-5-nitropyrimidin-4-yl)(benzyl)amino]ethan-1-ol, 2-((6-amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol, 2-[(6-amino-5-nitropyrimidin-4-yl)-benzylamino]ethanol, F0543-0210, 2-((6-amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethan-1-ol
| Molecular Formula | C13H15N5O3 |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | 0.9659 |
| Topological Polar Surface Area | 118.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.1175 |
| Heavy Atoms | 21 |
| Complexity | 620.45874 |
Chemical Identifiers
| CAS Number | 450345-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCO)C2=NC=NC(=C2[N+](=O)[O-])N |
Product Overview
2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol (CAS 450345-69-4), with molecular formula C13H15N5O3 and molecular weight 289.12 g/mol. IUPAC: 2-[(6-amino-5-nitropyrimidin-4-yl)-benzylamino]ethanol.
Chemical Property Profile of 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol
Property Insights of 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol
The XLogP value of 0.9659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol. The TPSA of 118.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol. Following Lipinski's Rule of Five, 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol has 2 hydrogen bond donor(s) and 7 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-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol?
The CAS number of 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol is 450345-69-4.
What is the molecular formula of 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol?
The molecular formula of 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol is C13H15N5O3.
What is the molecular weight of 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol?
The molecular weight of 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol is 289.12 g/mol.
Where can I buy 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol?
You can request a quote for 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-Amino-5-nitropyrimidin-4-yl)(benzyl)amino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.