3-methylpyrimidin-4(3H)-one
TL;DR: 3-methylpyrimidin-4(3H)-one (CAS 6104-45-6) is a chemical compound with molecular formula C5H6N2O and molecular weight 110.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpyrimidin-4-one
Also Known As: 3-methylpyrimidin-4(3H)-one, 3-methylpyrimidin-4-one, 4(3H)-Pyrimidinone, 3-methyl-, 3-Methyl-4(3H)-pyrimidone, 3-Methyl-3H-pyrimidin-4-one
| Molecular Formula | C5H6N2O |
|---|---|
| Molecular Weight | 110.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.04801 |
| Heavy Atoms | 8 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 6104-45-6 |
|---|---|
| SMILES | CN1C=NC=CC1=O |
| InChIKey | PSXLJUKMMIHADB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methylpyrimidin-4(3H)-one (CAS 6104-45-6), with molecular formula C5H6N2O and molecular weight 110.05 g/mol. IUPAC: 3-methylpyrimidin-4-one.
Chemical Property Profile of 3-methylpyrimidin-4(3H)-one
Property Insights of 3-methylpyrimidin-4(3H)-one
The XLogP value of -0.5 indicates that 3-methylpyrimidin-4(3H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.7 Ų, 3-methylpyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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
Frequently Asked Questions
What is the CAS number of 3-methylpyrimidin-4(3H)-one?
The CAS number of 3-methylpyrimidin-4(3H)-one is 6104-45-6.
What is the molecular formula of 3-methylpyrimidin-4(3H)-one?
The molecular formula of 3-methylpyrimidin-4(3H)-one is C5H6N2O.
What is the molecular weight of 3-methylpyrimidin-4(3H)-one?
The molecular weight of 3-methylpyrimidin-4(3H)-one is 110.05 g/mol.
Where can I buy 3-methylpyrimidin-4(3H)-one?
You can request a quote for 3-methylpyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylpyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methylpyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.