Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate
TL;DR: Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate (CAS 76360-67-3) is a chemical compound with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(benzylamino)-2-phenylpyrimidine-5-carboxylate
Also Known As: ethyl 4-(benzylamino)-2-phenylpyrimidine-5-carboxylate, TimTec1_000587, ethyl 4-(benzylamino)-2-phenyl-5-pyrimidinecarboxylate, BAS 00317829, 11M-508S
| Molecular Formula | C20H19N3O2 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.14774 |
| Heavy Atoms | 25 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 76360-67-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | CNDOADIUFVAYBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate (CAS 76360-67-3), with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol. IUPAC: ethyl 4-(benzylamino)-2-phenylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate
Property Insights of Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate
The XLogP value of 4.4 indicates that Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate has 1 hydrogen bond donor(s) and 5 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-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate?
The CAS number of Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate is 76360-67-3.
What is the molecular formula of Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate is C20H19N3O2.
What is the molecular weight of Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate is 333.15 g/mol.
Where can I buy Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-phenyl-4-((phenylmethyl)amino)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.