N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide
TL;DR: N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide (CAS 21313-83-7) is a chemical compound with molecular formula C11H10N6O3 and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide
Also Known As: N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide, N-(4,6-diamino-pyrimidin-5-yl)-4-nitro-benzamide
| Molecular Formula | C11H10N6O3 |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 0.8015 |
| Topological Polar Surface Area | 150.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.08145 |
| Heavy Atoms | 20 |
| Complexity | 650.1087 |
Chemical Identifiers
| CAS Number | 21313-83-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=C(N=CN=C2N)N)[N+](=O)[O-] |
Product Overview
N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide (CAS 21313-83-7), with molecular formula C11H10N6O3 and molecular weight 274.08 g/mol. IUPAC: N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide
Property Insights of N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide
The XLogP value of 0.8015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide. The TPSA of 150.06 Ų indicates high polarity, suggesting N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide 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)-4-nitrobenzamide?
The CAS number of N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide is 21313-83-7.
What is the molecular formula of N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide?
The molecular formula of N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide is C11H10N6O3.
What is the molecular weight of N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide?
The molecular weight of N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide is 274.08 g/mol.
Where can I buy N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide?
You can request a quote for N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide 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)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,6-diaminopyrimidin-5-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.