1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 15018-52-7) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: BARBITURIC ACID, 5-BENZYL-1,3-DIMETHYL-, Barbituric acid,3-dimethyl-, 5-Benzyl-1,3-dimethylbarbituric acid, 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 1,3-Dimethyl-5-benzylbarbituric acid
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 15018-52-7 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)CC2=CC=CC=C2 |
| InChIKey | JOBKZALYQYGIAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 15018-52-7), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione. With a topological polar surface area (TPSA) of 57.7 Ų, 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione has 0 hydrogen bond donor(s) and 3 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 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 15018-52-7.
What is the molecular formula of 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is C13H14N2O3.
What is the molecular weight of 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 246.10 g/mol.
Where can I buy 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.