2-Methyl-4,6-pyrimidinedione
TL;DR: 2-Methyl-4,6-pyrimidinedione (CAS 40755-12-2) is a chemical compound with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1H-pyrimidine-4,6-dione
Also Known As: 2-methylpyrimidine-4,6(1h,5h)-dione, 4,6-Dihydroxy-2-methylpyrimidine, 2-Methyl-4,6-pyrimidinedione, 4,6(1H,5H)-Pyrimidinedione, 2-methyl-, 2-Methyl-4,6-pyrimidinediol
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 58.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 40755-12-2 |
|---|---|
| SMILES | CC1=NC(=O)CC(=O)N1 |
| InChIKey | GNVCKXIBBIIFPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4,6-pyrimidinedione (CAS 40755-12-2), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: 2-methyl-1H-pyrimidine-4,6-dione.
Chemical Property Profile of 2-Methyl-4,6-pyrimidinedione
Property Insights of 2-Methyl-4,6-pyrimidinedione
The XLogP value of -0.9 indicates that 2-Methyl-4,6-pyrimidinedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.5 Ų, 2-Methyl-4,6-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4,6-pyrimidinedione 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-4,6-pyrimidinedione?
The CAS number of 2-Methyl-4,6-pyrimidinedione is 40755-12-2.
What is the molecular formula of 2-Methyl-4,6-pyrimidinedione?
The molecular formula of 2-Methyl-4,6-pyrimidinedione is C5H6N2O2.
What is the molecular weight of 2-Methyl-4,6-pyrimidinedione?
The molecular weight of 2-Methyl-4,6-pyrimidinedione is 126.04 g/mol.
Where can I buy 2-Methyl-4,6-pyrimidinedione?
You can request a quote for 2-Methyl-4,6-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4,6-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4,6-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.