2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one
TL;DR: 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one (CAS 960255-03-2) is a chemical compound with molecular formula C11H8F3N3O and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
Also Known As: 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one
| Molecular Formula | C11H8F3N3O |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 2.5323 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.06195 |
| Heavy Atoms | 18 |
| Complexity | 606.7227 |
Chemical Identifiers
| CAS Number | 960255-03-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=NC=CC(=O)N2)C(F)(F)F |
Product Overview
2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one (CAS 960255-03-2), with molecular formula C11H8F3N3O and molecular weight 255.06 g/mol. IUPAC: 2-[3-(trifluoromethyl)anilino]-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one
Property Insights of 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one
The XLogP value of 2.5323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 57.78 Ų, 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one has 2 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 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one?
The CAS number of 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one is 960255-03-2.
What is the molecular formula of 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one?
The molecular formula of 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one is C11H8F3N3O.
What is the molecular weight of 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one?
The molecular weight of 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one is 255.06 g/mol.
Where can I buy 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one?
You can request a quote for 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-trifluoromethylphenylamino)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.