![2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol structure](/static/products/840/840455-75-6.png)
2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol
TL;DR: 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol (CAS 840455-75-6) is a chemical compound with molecular formula C13H16N6O3 and molecular weight 304.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol
Also Known As: 2-[[4-amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol, 2-((4-amino-6-(benzylamino)-5-nitropyrimidin-2-yl)amino)ethanol, 2-[[4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]amino]ethanol, 2-{[4-amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino}ethanol, 2-({4-amino-5-nitro-6-[benzylamino]pyrimidin-2-yl}amino)ethan-1-ol
| Molecular Formula | C13H16N6O3 |
|---|---|
| Molecular Weight | 304.13 g/mol |
| LogP | 0.9833 |
| Topological Polar Surface Area | 139.23 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.1284 |
| Heavy Atoms | 22 |
| Complexity | 649.72375 |
Chemical Identifiers
| CAS Number | 840455-75-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCO |
Product Overview
2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol (CAS 840455-75-6), with molecular formula C13H16N6O3 and molecular weight 304.13 g/mol. IUPAC: 2-[[4-amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol.
Chemical Property Profile of 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol
Property Insights of 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol
The XLogP value of 0.9833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol. The TPSA of 139.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol. Following Lipinski's Rule of Five, 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol has 4 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-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol?
The CAS number of 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol is 840455-75-6.
What is the molecular formula of 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol?
The molecular formula of 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol is C13H16N6O3.
What is the molecular weight of 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol?
The molecular weight of 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol is 304.13 g/mol.
Where can I buy 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol?
You can request a quote for 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]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-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-Amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.