2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol
TL;DR: 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol (CAS 713085-81-5) is a chemical compound with molecular formula C12H20N6O4 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(4-amino-5-nitro-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethoxy]ethanol
Also Known As: 2-(2-((4-amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol, 2-(2-{[4-amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}ethoxy)ethanol, 2-[2-[(4-amino-5-nitro-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethoxy]ethanol
| Molecular Formula | C12H20N6O4 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | -0.012 |
| Topological Polar Surface Area | 139.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 312.1546 |
| Heavy Atoms | 22 |
| Complexity | 520.5831 |
Chemical Identifiers
| CAS Number | 713085-81-5 |
|---|---|
| SMILES | C1CCN(C1)C2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO |
Product Overview
2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol (CAS 713085-81-5), with molecular formula C12H20N6O4 and molecular weight 312.15 g/mol. IUPAC: 2-[2-[(4-amino-5-nitro-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethoxy]ethanol.
Chemical Property Profile of 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol
Property Insights of 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol
The XLogP value of -0.012 indicates that 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol. Following Lipinski's Rule of Five, 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol has 3 hydrogen bond donor(s) and 9 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-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol?
The CAS number of 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol is 713085-81-5.
What is the molecular formula of 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol?
The molecular formula of 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol is C12H20N6O4.
What is the molecular weight of 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol?
The molecular weight of 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol is 312.15 g/mol.
Where can I buy 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol?
You can request a quote for 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((4-Amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)ethoxy)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.