![2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine structure](/static/products/841/841-08-7.png)
2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine
TL;DR: 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine (CAS 841-08-7) is a chemical compound with molecular formula C13H14FN3S and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine
Also Known As: 2-((4-fluorobenzyl)thio)-N,5-dimethylpyrimidin-4-amine, 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine, 2-{[(4-Fluorophenyl)methyl]sulfanyl}-N,5-dimethylpyrimidin-4(3H)-imine
| Molecular Formula | C13H14FN3S |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.08923 |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 841-08-7 |
|---|---|
| SMILES | CC1=CN=C(N=C1NC)SCC2=CC=C(C=C2)F |
| InChIKey | CDYBEBDBOHYQGE-UHFFFAOYSA-N |
Product Overview
2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine (CAS 841-08-7), with molecular formula C13H14FN3S and molecular weight 263.09 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine.
Chemical Property Profile of 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine
Property Insights of 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine
The XLogP value of 3.3 indicates that 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine. Following Lipinski's Rule of Five, 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine has 1 hydrogen bond donor(s) and 5 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 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine?
The CAS number of 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine is 841-08-7.
What is the molecular formula of 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine?
The molecular formula of 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine is C13H14FN3S.
What is the molecular weight of 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine?
The molecular weight of 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine is 263.09 g/mol.
Where can I buy 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine?
You can request a quote for 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-fluorophenyl)methylsulfanyl]-N,5-dimethylpyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.