3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine
TL;DR: 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine (CAS 33236-09-8) is a chemical compound with molecular formula C15H21FN2O and molecular weight 264.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxy-(3-fluorophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
Also Known As: 5-23-11-00411 (Beilstein Handbook Reference), 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine, 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-m-fluorobenzyl)pyrimidine, 5,5-Dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)-3,4,5,6-tetrahydropyrimidine, 5,5-Dimethyl-2-(alpha-ethoxy-m-fluorobenzyl)-3,4,5,6-tetrahydropyrimidine
| Molecular Formula | C15H21FN2O |
|---|---|
| Molecular Weight | 264.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.1638 |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 33236-09-8 |
|---|---|
| SMILES | CCOC(C1=CC(=CC=C1)F)C2=NCC(CN2)(C)C |
| InChIKey | NPQLTTSOQVUXSG-UHFFFAOYSA-N |
Product Overview
3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine (CAS 33236-09-8), with molecular formula C15H21FN2O and molecular weight 264.16 g/mol. IUPAC: 2-[ethoxy-(3-fluorophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine.
Chemical Property Profile of 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine
Property Insights of 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine. With a topological polar surface area (TPSA) of 33.6 Ų, 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine has 1 hydrogen bond donor(s) and 3 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 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine?
The CAS number of 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine is 33236-09-8.
What is the molecular formula of 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine?
The molecular formula of 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine is C15H21FN2O.
What is the molecular weight of 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine?
The molecular weight of 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine is 264.16 g/mol.
Where can I buy 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine?
You can request a quote for 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.