5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine
TL;DR: 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine (CAS 95458-49-4) is a chemical compound with molecular formula C12H12ClN5O2 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine
Also Known As: NCI60_004555, 5-(3-chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine, 2,4-Pyrimidinediamine, 5-(3-chloro-4-nitrophenyl)-6-ethyl-, 2,4-Diamino-6-ethyl-5-(3-chloro-4-nitrophenyl)pyrimidine
| Molecular Formula | C12H12ClN5O2 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.06796 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 95458-49-4 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | WVOUXRHJGOEMJA-UHFFFAOYSA-N |
Product Overview
5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine (CAS 95458-49-4), with molecular formula C12H12ClN5O2 and molecular weight 293.07 g/mol. IUPAC: 5-(3-chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine.
Chemical Property Profile of 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine
Property Insights of 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine has 2 hydrogen bond donor(s) and 6 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 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine?
The CAS number of 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine is 95458-49-4.
What is the molecular formula of 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine?
The molecular formula of 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine is C12H12ClN5O2.
What is the molecular weight of 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine?
The molecular weight of 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine is 293.07 g/mol.
Where can I buy 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine?
You can request a quote for 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.