1-(Pyrimidin-4-yl)ethanone
TL;DR: 1-(Pyrimidin-4-yl)ethanone (CAS 40163-56-2) is a chemical compound with molecular formula C6H6N2O and molecular weight 122.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrimidin-4-ylethanone
Also Known As: 1-(Pyrimidin-4-yl)ethanone, 4-Acetylpyrimidine, 1-pyrimidin-4-ylethanone, 1-Pyrimidin-4-yl-ethanone, 4-acetyl pyrimidine
| Molecular Formula | C6H6N2O |
|---|---|
| Molecular Weight | 122.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.04801 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 40163-56-2 |
|---|---|
| SMILES | CC(=O)C1=NC=NC=C1 |
| InChIKey | UZKADDSUUBRMKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Pyrimidin-4-yl)ethanone (CAS 40163-56-2), with molecular formula C6H6N2O and molecular weight 122.05 g/mol. IUPAC: 1-pyrimidin-4-ylethanone.
Chemical Property Profile of 1-(Pyrimidin-4-yl)ethanone
Property Insights of 1-(Pyrimidin-4-yl)ethanone
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Pyrimidin-4-yl)ethanone. With a topological polar surface area (TPSA) of 42.9 Ų, 1-(Pyrimidin-4-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pyrimidin-4-yl)ethanone has 0 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 1-(Pyrimidin-4-yl)ethanone?
The CAS number of 1-(Pyrimidin-4-yl)ethanone is 40163-56-2.
What is the molecular formula of 1-(Pyrimidin-4-yl)ethanone?
The molecular formula of 1-(Pyrimidin-4-yl)ethanone is C6H6N2O.
What is the molecular weight of 1-(Pyrimidin-4-yl)ethanone?
The molecular weight of 1-(Pyrimidin-4-yl)ethanone is 122.05 g/mol.
Where can I buy 1-(Pyrimidin-4-yl)ethanone?
You can request a quote for 1-(Pyrimidin-4-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Pyrimidin-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Pyrimidin-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.