4-Chloro-6-(1,1-dimethylethyl)pyrimidine
TL;DR: 4-Chloro-6-(1,1-dimethylethyl)pyrimidine (CAS 3435-24-3) is a chemical compound with molecular formula C8H11ClN2 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-6-chloropyrimidine
Also Known As: 4-tert-butyl-6-chloropyrimidine, 4-(tert-Butyl)-6-chloropyrimidine, 4-tert-Butyl-6-chloro-pyrimidine, 4-chloro-6-(1,1-dimethylethyl)pyrimidine, 4-chloro-6-tert-butylpyrimidine
| Molecular Formula | C8H11ClN2 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 2.4275 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.06108 |
| Heavy Atoms | 11 |
| Complexity | 252.51413 |
Chemical Identifiers
| CAS Number | 3435-24-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NC=N1)Cl |
Product Overview
4-Chloro-6-(1,1-dimethylethyl)pyrimidine (CAS 3435-24-3), with molecular formula C8H11ClN2 and molecular weight 170.06 g/mol. IUPAC: 4-tert-butyl-6-chloropyrimidine.
Chemical Property Profile of 4-Chloro-6-(1,1-dimethylethyl)pyrimidine
Property Insights of 4-Chloro-6-(1,1-dimethylethyl)pyrimidine
The XLogP value of 2.4275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-6-(1,1-dimethylethyl)pyrimidine. With a topological polar surface area (TPSA) of 25.78 Ų, 4-Chloro-6-(1,1-dimethylethyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-6-(1,1-dimethylethyl)pyrimidine has 0 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 4-Chloro-6-(1,1-dimethylethyl)pyrimidine?
The CAS number of 4-Chloro-6-(1,1-dimethylethyl)pyrimidine is 3435-24-3.
What is the molecular formula of 4-Chloro-6-(1,1-dimethylethyl)pyrimidine?
The molecular formula of 4-Chloro-6-(1,1-dimethylethyl)pyrimidine is C8H11ClN2.
What is the molecular weight of 4-Chloro-6-(1,1-dimethylethyl)pyrimidine?
The molecular weight of 4-Chloro-6-(1,1-dimethylethyl)pyrimidine is 170.06 g/mol.
Where can I buy 4-Chloro-6-(1,1-dimethylethyl)pyrimidine?
You can request a quote for 4-Chloro-6-(1,1-dimethylethyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-6-(1,1-dimethylethyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-(1,1-dimethylethyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.