2-(Tert-butyl)pyrimidine-5-carbonitrile
TL;DR: 2-(Tert-butyl)pyrimidine-5-carbonitrile (CAS 126230-72-6) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.09529 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butylpyrimidine-5-carbonitrile
Also Known As: 2-(TERT-BUTYL)PYRIMIDINE-5-CARBONITRILE, 2-tert-butylpyrimidine-5-carbonitrile, 2-t-butyl-5-cyanopyrimidine, 2-tert-butyl-5-cyanopyrimidine, 2-tert-Butyl-pyrimidine-5-carbonitrile
Technical Specifications
| Molecular Formula | C9H11N3 |
| Molecular Weight | 161.09529 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.09529 Da |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
| SMILES | CC(C)(C)C1=NC=C(C=N1)C#N |
| InChIKey | RVRWCGLEMLVCMS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Tert-butyl)pyrimidine-5-carbonitrile
Property Insights of 2-(Tert-butyl)pyrimidine-5-carbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Tert-butyl)pyrimidine-5-carbonitrile. With a topological polar surface area (TPSA) of 49.6 Ų, 2-(Tert-butyl)pyrimidine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Tert-butyl)pyrimidine-5-carbonitrile 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
What is the CAS number of 2-(Tert-butyl)pyrimidine-5-carbonitrile?
The CAS number of 2-(Tert-butyl)pyrimidine-5-carbonitrile is 126230-72-6.
What is the molecular formula of 2-(Tert-butyl)pyrimidine-5-carbonitrile?
The molecular formula of 2-(Tert-butyl)pyrimidine-5-carbonitrile is C9H11N3.
What is the molecular weight of 2-(Tert-butyl)pyrimidine-5-carbonitrile?
The molecular weight of 2-(Tert-butyl)pyrimidine-5-carbonitrile is 161.09529 g/mol.
Where can I buy 2-(Tert-butyl)pyrimidine-5-carbonitrile?
You can request a quote for 2-(Tert-butyl)pyrimidine-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Tert-butyl)pyrimidine-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Tert-butyl)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.