N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine
TL;DR: N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine (CAS 339019-59-9) is a chemical compound with molecular formula C9H10F3N3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-N-prop-2-enyl-6-(trifluoromethyl)pyrimidin-4-amine
Also Known As: 7N-534S, N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine, 2-(methylsulfanyl)-N-(prop-2-en-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine, 2-methylsulfanyl-N-prop-2-enyl-6-(trifluoromethyl)pyrimidin-4-amine, N-allyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine
| Molecular Formula | C9H10F3N3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 2.8152 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.05475 |
| Heavy Atoms | 16 |
| Complexity | 378.75223 |
Chemical Identifiers
| CAS Number | 339019-59-9 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)NCC=C)C(F)(F)F |
Product Overview
N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine (CAS 339019-59-9), with molecular formula C9H10F3N3S and molecular weight 249.05 g/mol. IUPAC: 2-methylsulfanyl-N-prop-2-enyl-6-(trifluoromethyl)pyrimidin-4-amine.
Chemical Property Profile of N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine
Property Insights of N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine
The XLogP value of 2.8152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine. With a topological polar surface area (TPSA) of 37.81 Ų, N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine has 1 hydrogen bond donor(s) and 4 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 N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine?
The CAS number of N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine is 339019-59-9.
What is the molecular formula of N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine?
The molecular formula of N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine is C9H10F3N3S.
What is the molecular weight of N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine?
The molecular weight of N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine is 249.05 g/mol.
Where can I buy N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine?
You can request a quote for N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.