ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate
TL;DR: ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate (CAS 1002414-89-2) is a chemical compound with molecular formula C18H18FN5O2 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluoroanilino)pyrimidine-5-carboxylate
Also Known As: ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate, ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-fluorophenyl)amino]pyrimidine-5-carboxylate, ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluoroanilino)pyrimidine-5-carboxylate
| Molecular Formula | C18H18FN5O2 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 3.33854 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.14444 |
| Heavy Atoms | 26 |
| Complexity | 937.2546 |
Chemical Identifiers
| CAS Number | 1002414-89-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)F)N3C(=CC(=N3)C)C |
Product Overview
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate (CAS 1002414-89-2), with molecular formula C18H18FN5O2 and molecular weight 355.14 g/mol. IUPAC: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluoroanilino)pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate
Property Insights of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate
The XLogP value of 3.33854 indicates that ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate has 1 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 ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate?
The CAS number of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate is 1002414-89-2.
What is the molecular formula of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate?
The molecular formula of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate is C18H18FN5O2.
What is the molecular weight of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate?
The molecular weight of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate is 355.14 g/mol.
Where can I buy ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate?
You can request a quote for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-fluorophenyl)amino)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.