3-benzyl-6-methyl-1H-pyrimidine-2,4-dione
TL;DR: 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione (CAS 25589-18-8) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-methyl-1H-pyrimidine-2,4-dione
Also Known As: 3-Benzyl-6-methyluracil, 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione, 3-Benzyl-6-methylpyrimidine-2,4(1H,3H)-dione, 3-benzyl-6-methyl-2,4(1H)-pyrimidinedione, 3-benzyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 25589-18-8 |
|---|---|
| SMILES | CC1=CC(=O)N(C(=O)N1)CC2=CC=CC=C2 |
| InChIKey | AYELMVKBGKTEKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-benzyl-6-methyl-1H-pyrimidine-2,4-dione (CAS 25589-18-8), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione
Property Insights of 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione 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 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione?
The CAS number of 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione is 25589-18-8.
What is the molecular formula of 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione?
The molecular formula of 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione is C12H12N2O2.
What is the molecular weight of 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione?
The molecular weight of 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione is 216.09 g/mol.
Where can I buy 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione?
You can request a quote for 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-6-methyl-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.