2-ethyl-3H-pyrimidin-4-one
TL;DR: 2-ethyl-3H-pyrimidin-4-one (CAS 14331-50-1) is a chemical compound with molecular formula C6H8N2O and molecular weight 124.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1H-pyrimidin-6-one
Also Known As: 2-Ethylpyrimidin-4-ol, 2-ethyl-3H-pyrimidin-4-one, 2-ethyl-1H-pyrimidin-6-one, 4-HYDROXY-2-ETHYLPYRIMIDINE, 2-Ethyl-4(3H)-pyrimidinone
| Molecular Formula | C6H8N2O |
|---|---|
| Molecular Weight | 124.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.06366 |
| Heavy Atoms | 9 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 14331-50-1 |
|---|---|
| SMILES | CCC1=NC=CC(=O)N1 |
| InChIKey | OFPWIXYGAJDWPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-ethyl-3H-pyrimidin-4-one (CAS 14331-50-1), with molecular formula C6H8N2O and molecular weight 124.06 g/mol. IUPAC: 2-ethyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-ethyl-3H-pyrimidin-4-one
Property Insights of 2-ethyl-3H-pyrimidin-4-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-ethyl-3H-pyrimidin-4-one. With a topological polar surface area (TPSA) of 41.5 Ų, 2-ethyl-3H-pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-ethyl-3H-pyrimidin-4-one has 1 hydrogen bond donor(s) and 2 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-ethyl-3H-pyrimidin-4-one?
The CAS number of 2-ethyl-3H-pyrimidin-4-one is 14331-50-1.
What is the molecular formula of 2-ethyl-3H-pyrimidin-4-one?
The molecular formula of 2-ethyl-3H-pyrimidin-4-one is C6H8N2O.
What is the molecular weight of 2-ethyl-3H-pyrimidin-4-one?
The molecular weight of 2-ethyl-3H-pyrimidin-4-one is 124.06 g/mol.
Where can I buy 2-ethyl-3H-pyrimidin-4-one?
You can request a quote for 2-ethyl-3H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethyl-3H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl-3H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.