2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine
TL;DR: 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine (CAS 21813-35-4) 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-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine-2,4-diamine
Also Known As: 5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine-2,4-diamine, 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine, NCI60_002551, 2, 5-(4-chloro-3-nitrophenyl)-6-ethyl-, 5-(4-Chloro-3-nitro-phenyl)-6-ethyl-pyrimidine-2,4-diamine
| 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 | 21813-35-4 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | JUUBFXIMFOJFOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine (CAS 21813-35-4), with molecular formula C12H12ClN5O2 and molecular weight 293.07 g/mol. IUPAC: 5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine-2,4-diamine.
Chemical Property Profile of 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine
Property Insights of 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine. Following Lipinski's Rule of Five, 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine 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 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine?
The CAS number of 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine is 21813-35-4.
What is the molecular formula of 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine?
The molecular formula of 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine is C12H12ClN5O2.
What is the molecular weight of 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine?
The molecular weight of 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine is 293.07 g/mol.
Where can I buy 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine?
You can request a quote for 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.