4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine
TL;DR: 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine (CAS 706-27-4) is a chemical compound with molecular formula C9H12F3N3 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-amine
Also Known As: primidone, 4-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-2-amine, 4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-amine, Maybridge1_004123, 4-(Trifluoromethoxy)toluene
| Molecular Formula | C9H12F3N3 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.09833 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 706-27-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NC(=N1)N)C(F)(F)F |
| InChIKey | XIUFUZWOHSSRKX-UHFFFAOYSA-N |
Product Overview
4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine (CAS 706-27-4), with molecular formula C9H12F3N3 and molecular weight 219.10 g/mol. IUPAC: 4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-amine.
Chemical Property Profile of 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine
Property Insights of 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine. With a topological polar surface area (TPSA) of 51.8 Ų, 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine has 1 hydrogen bond donor(s) and 6 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-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine?
The CAS number of 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine is 706-27-4.
What is the molecular formula of 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine?
The molecular formula of 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine is C9H12F3N3.
What is the molecular weight of 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine?
The molecular weight of 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine is 219.10 g/mol.
Where can I buy 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine?
You can request a quote for 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.