2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-
TL;DR: 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)- (CAS 17432-97-2) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-1H-pyrimidine-2,4-dione
Also Known As: 5-t-Butyluracil, 5-tert-butyluracil, 5-tert.-Butyluracil, 5-(tert-butyl)pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-1H-pyrimidine-2,4-dione
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 17432-97-2 |
|---|---|
| SMILES | CC(C)(C)C1=CNC(=O)NC1=O |
| InChIKey | FFVVCDOCJNTZKL-UHFFFAOYSA-N |
Product Overview
2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)- (CAS 17432-97-2), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 5-tert-butyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-
Property Insights of 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-. With a topological polar surface area (TPSA) of 58.2 Ų, 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)- has 2 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 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-?
The CAS number of 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)- is 17432-97-2.
What is the molecular formula of 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-?
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)- is C8H12N2O2.
What is the molecular weight of 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-?
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)- is 168.09 g/mol.
Where can I buy 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-?
You can request a quote for 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.