5-Chloro-1-methylpyrimidin-2(1H)-one
TL;DR: 5-Chloro-1-methylpyrimidin-2(1H)-one (CAS 63331-06-6) is a chemical compound with molecular formula C5H5ClN2O and molecular weight 144.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-methylpyrimidin-2-one
Also Known As: 5-Chloro-1-methylpyrimidin-2(1H)-one, 5-chloro-1-methylpyrimidin-2-one, 1-Methyl-5-chloropyrimid-2-one, 2(1H)-Pyrimidinone,5-chloro-1-methyl-, 2(1H)-Pyrimidinone, 5-chloro-1-methyl-
| Molecular Formula | C5H5ClN2O |
|---|---|
| Molecular Weight | 144.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.00903 |
| Heavy Atoms | 9 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 63331-06-6 |
|---|---|
| SMILES | CN1C=C(C=NC1=O)Cl |
| InChIKey | WVNYVHJOTMLDOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-1-methylpyrimidin-2(1H)-one (CAS 63331-06-6), with molecular formula C5H5ClN2O and molecular weight 144.01 g/mol. IUPAC: 5-chloro-1-methylpyrimidin-2-one.
Chemical Property Profile of 5-Chloro-1-methylpyrimidin-2(1H)-one
Property Insights of 5-Chloro-1-methylpyrimidin-2(1H)-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1-methylpyrimidin-2(1H)-one. With a topological polar surface area (TPSA) of 32.7 Ų, 5-Chloro-1-methylpyrimidin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1-methylpyrimidin-2(1H)-one has 0 hydrogen bond donor(s) and 1 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 5-Chloro-1-methylpyrimidin-2(1H)-one?
The CAS number of 5-Chloro-1-methylpyrimidin-2(1H)-one is 63331-06-6.
What is the molecular formula of 5-Chloro-1-methylpyrimidin-2(1H)-one?
The molecular formula of 5-Chloro-1-methylpyrimidin-2(1H)-one is C5H5ClN2O.
What is the molecular weight of 5-Chloro-1-methylpyrimidin-2(1H)-one?
The molecular weight of 5-Chloro-1-methylpyrimidin-2(1H)-one is 144.01 g/mol.
Where can I buy 5-Chloro-1-methylpyrimidin-2(1H)-one?
You can request a quote for 5-Chloro-1-methylpyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1-methylpyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1-methylpyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.