N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide
TL;DR: N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide (CAS 21313-84-8) is a chemical compound with molecular formula C12H12N6O3 and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide
Also Known As: N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide, N-(4,6-diamino-pyrimidin-5-yl)-2-(3-nitro-phenyl)-acetamide
| Molecular Formula | C12H12N6O3 |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.09708 |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 21313-84-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)NC2=C(N=CN=C2N)N |
| InChIKey | XQNJPYHQHWHBMB-UHFFFAOYSA-N |
Product Overview
N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide (CAS 21313-84-8), with molecular formula C12H12N6O3 and molecular weight 288.10 g/mol. IUPAC: N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide.
Chemical Property Profile of N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide
Property Insights of N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide. The TPSA of 153.0 Ų indicates high polarity, suggesting N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide has 3 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 N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide?
The CAS number of N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide is 21313-84-8.
What is the molecular formula of N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide?
The molecular formula of N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide is C12H12N6O3.
What is the molecular weight of N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide?
The molecular weight of N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide is 288.10 g/mol.
Where can I buy N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide?
You can request a quote for N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.