2-Tert-butylpyrimidine-5-carboxylic acid
TL;DR: 2-Tert-butylpyrimidine-5-carboxylic acid (CAS 1262305-54-3) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butylpyrimidine-5-carboxylic acid
Also Known As: 2-tert-butylpyrimidine-5-carboxylic acid, 2-(tert-butyl)pyrimidine-5-carboxylic acid, 2-tert-butyl-5-pyrimidinecarboxylic acid, 5-Pyrimidinecarboxylic acid, 2-(1,1-dimethylethyl)-, BAS 10873590
Technical Specifications
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.08987 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.08987 Da |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
| SMILES | CC(C)(C)C1=NC=C(C=N1)C(=O)O |
| InChIKey | YWTKTHQJHQUTGW-UHFFFAOYSA-N |
Chemical Property Profile of 2-Tert-butylpyrimidine-5-carboxylic acid
Property Insights of 2-Tert-butylpyrimidine-5-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butylpyrimidine-5-carboxylic acid. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butylpyrimidine-5-carboxylic acid. Following Lipinski's Rule of Five, 2-Tert-butylpyrimidine-5-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Tert-butylpyrimidine-5-carboxylic acid?
The CAS number of 2-Tert-butylpyrimidine-5-carboxylic acid is 1262305-54-3.
What is the molecular formula of 2-Tert-butylpyrimidine-5-carboxylic acid?
The molecular formula of 2-Tert-butylpyrimidine-5-carboxylic acid is C9H12N2O2.
What is the molecular weight of 2-Tert-butylpyrimidine-5-carboxylic acid?
The molecular weight of 2-Tert-butylpyrimidine-5-carboxylic acid is 180.08987 g/mol.
Where can I buy 2-Tert-butylpyrimidine-5-carboxylic acid?
You can request a quote for 2-Tert-butylpyrimidine-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Tert-butylpyrimidine-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-Tert-butylpyrimidine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.