2-Methyl-1,4-dihydropyrimidin-4-one
TL;DR: 2-Methyl-1,4-dihydropyrimidin-4-one (CAS 78019-77-9) 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.
2-methyl-1H-pyrimidin-6-one
Also Known As: 2-Methylpyrimidin-4-ol, 4-Hydroxy-2-methylpyrimidine, 2-methylpyrimidin-4(3H)-one, 2-methyl-1H-pyrimidin-6-one, 2-Methyl-4(3H)-pyrimidinone
| Molecular Formula | C5H6N2O |
|---|---|
| Molecular Weight | 110.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.04801 |
| Heavy Atoms | 8 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 78019-77-9 |
|---|---|
| SMILES | CC1=NC=CC(=O)N1 |
| InChIKey | QWIDYOLZFAQBOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1,4-dihydropyrimidin-4-one (CAS 78019-77-9), with molecular formula C5H6N2O and molecular weight 110.05 g/mol. IUPAC: 2-methyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-Methyl-1,4-dihydropyrimidin-4-one
Property Insights of 2-Methyl-1,4-dihydropyrimidin-4-one
The XLogP value of -0.4 indicates that 2-Methyl-1,4-dihydropyrimidin-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.5 Ų, 2-Methyl-1,4-dihydropyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1,4-dihydropyrimidin-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-Methyl-1,4-dihydropyrimidin-4-one?
The CAS number of 2-Methyl-1,4-dihydropyrimidin-4-one is 78019-77-9.
What is the molecular formula of 2-Methyl-1,4-dihydropyrimidin-4-one?
The molecular formula of 2-Methyl-1,4-dihydropyrimidin-4-one is C5H6N2O.
What is the molecular weight of 2-Methyl-1,4-dihydropyrimidin-4-one?
The molecular weight of 2-Methyl-1,4-dihydropyrimidin-4-one is 110.05 g/mol.
Where can I buy 2-Methyl-1,4-dihydropyrimidin-4-one?
You can request a quote for 2-Methyl-1,4-dihydropyrimidin-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-Methyl-1,4-dihydropyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,4-dihydropyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.