2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one
TL;DR: 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one (CAS 459196-65-7) is a chemical compound with molecular formula C12H13N3O and molecular weight 215.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethylanilino)-1H-pyrimidin-6-one
Also Known As: 2-(4-ethylanilino)-1H-pyrimidin-6-one, 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one, 4(1h)-pyrimidinone,2-[(4-ethylphenyl)amino]-, 4(1H)-PYRIMIDINONE, 2-[(4-ETHYLPHENYL)AMINO]-, 4(1H)-Pyrimidinone, 2-[(4-ethylphenyl)amino]- (9CI)
| Molecular Formula | C12H13N3O |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 2.0759 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.10587 |
| Heavy Atoms | 16 |
| Complexity | 516.2871 |
Chemical Identifiers
| CAS Number | 459196-65-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC2=NC=CC(=O)N2 |
Product Overview
2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one (CAS 459196-65-7), with molecular formula C12H13N3O and molecular weight 215.11 g/mol. IUPAC: 2-(4-ethylanilino)-1H-pyrimidin-6-one.
Chemical Property Profile of 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one
Property Insights of 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one
The XLogP value of 2.0759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one. With a topological polar surface area (TPSA) of 57.78 Ų, 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 3 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-Ethylphenyl)amino)pyrimidin-4(1H)-one?
The CAS number of 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one is 459196-65-7.
What is the molecular formula of 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one?
The molecular formula of 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one is C12H13N3O.
What is the molecular weight of 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one?
The molecular weight of 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one is 215.11 g/mol.
Where can I buy 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one?
You can request a quote for 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Ethylphenyl)amino)pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.