4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine
TL;DR: 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine (CAS 91397-16-9) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-(4-nitrophenyl)pyrimidine
Also Known As: 4,6-dimethyl-2-(4-nitrophenyl)pyrimidine, 2-(4-Nitrophenyl)-4,6-dimethylpyrimidine, 4,6-Dimethyl-2-(p-nitrophenyl)-pyrimidine, 4,6-dimethyl-2-(4-nitro-phenyl)-pyrimidine, J3.578.036J
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 91397-16-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | GKFARQCLIWWRFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine (CAS 91397-16-9), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: 4,6-dimethyl-2-(4-nitrophenyl)pyrimidine.
Chemical Property Profile of 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine
Property Insights of 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine has 0 hydrogen bond donor(s) and 4 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 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine?
The CAS number of 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine is 91397-16-9.
What is the molecular formula of 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine?
The molecular formula of 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine is C12H11N3O2.
What is the molecular weight of 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine?
The molecular weight of 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine is 229.09 g/mol.
Where can I buy 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine?
You can request a quote for 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-(4-nitrophenyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.