6-Chloro-3-methylpyrimidin-4(3H)-one
TL;DR: 6-Chloro-3-methylpyrimidin-4(3H)-one (CAS 101079-62-3) is a chemical compound with molecular formula C5H5ClN2O and molecular weight 144.00903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-3-methylpyrimidin-4-one
Also Known As: 6-Chloro-3-methylpyrimidin-4(3H)-one, 6-chloro-3-methylpyrimidin-4-one, 6-chloro-3-methyl-pyrimidin-4-one, 4(3H)-Pyrimidinone, 6-chloro-3-methyl-, 6-CHLORO-3-METHYL-3,4-DIHYDROPYRIMIDIN-4-ONE
Technical Specifications
| Molecular Formula | C5H5ClN2O |
| Molecular Weight | 144.00903 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.00903 Da |
| Heavy Atoms | 9 |
| Complexity | 197.0 |
| SMILES | CN1C=NC(=CC1=O)Cl |
| InChIKey | IRYLYRQCDCQZHE-UHFFFAOYSA-N |
Chemical Property Profile of 6-Chloro-3-methylpyrimidin-4(3H)-one
Property Insights of 6-Chloro-3-methylpyrimidin-4(3H)-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-3-methylpyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 32.7 Ų, 6-Chloro-3-methylpyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-methylpyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Chloro-3-methylpyrimidin-4(3H)-one?
The CAS number of 6-Chloro-3-methylpyrimidin-4(3H)-one is 101079-62-3.
What is the molecular formula of 6-Chloro-3-methylpyrimidin-4(3H)-one?
The molecular formula of 6-Chloro-3-methylpyrimidin-4(3H)-one is C5H5ClN2O.
What is the molecular weight of 6-Chloro-3-methylpyrimidin-4(3H)-one?
The molecular weight of 6-Chloro-3-methylpyrimidin-4(3H)-one is 144.00903 g/mol.
Where can I buy 6-Chloro-3-methylpyrimidin-4(3H)-one?
You can request a quote for 6-Chloro-3-methylpyrimidin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Chloro-3-methylpyrimidin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 6-Chloro-3-methylpyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.