5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
TL;DR: 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione (CAS 7286-76-2) is a chemical compound with molecular formula C9H13BrN2O2 and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione
Also Known As: Compound 733, Du Pont-733, Du-Pont 733, 5-Bromo-3-tert-butyl-6-methyluracil, Uracil, 5-bromo-3-tert-butyl-6-methyl-
| Molecular Formula | C9H13BrN2O2 |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.01605 |
| Heavy Atoms | 14 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 7286-76-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Br |
| InChIKey | BSWOMKORDXSSKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione (CAS 7286-76-2), with molecular formula C9H13BrN2O2 and molecular weight 260.02 g/mol. IUPAC: 5-bromo-3-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
Property Insights of 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione. With a topological polar surface area (TPSA) of 49.4 Ų, 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-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 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione?
The CAS number of 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione is 7286-76-2.
What is the molecular formula of 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione is C9H13BrN2O2.
What is the molecular weight of 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione is 260.02 g/mol.
Where can I buy 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.