4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine
TL;DR: 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine (CAS 400081-65-4) is a chemical compound with molecular formula C13H10FN5 and molecular weight 255.09203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
Also Known As: 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine, 4F-011, 4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine, 4-(4-fluorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]pyrimidine
Technical Specifications
| Molecular Formula | C13H10FN5 |
| Molecular Weight | 255.09203 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.09203 Da |
| Heavy Atoms | 19 |
| Complexity | 282.0 |
| SMILES | C1=CC(=CC=C1C2=NC(=NC=C2)CN3C=NC=N3)F |
| InChIKey | GRTITHNWJVBKIZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine
Property Insights of 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine. With a topological polar surface area (TPSA) of 56.5 Ų, 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine?
The CAS number of 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine is 400081-65-4.
What is the molecular formula of 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine?
The molecular formula of 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine is C13H10FN5.
What is the molecular weight of 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine?
The molecular weight of 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine is 255.09203 g/mol.
Where can I buy 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine?
You can request a quote for 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine?
Yes, CoreyChem provides custom synthesis services for 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.