2-Trifluoromethyl-pyrimidin-4-ol
TL;DR: 2-Trifluoromethyl-pyrimidin-4-ol (CAS 190-74-9) is a chemical compound with molecular formula C5H3F3N2O and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)-1H-pyrimidin-6-one
Also Known As: 2-(trifluoromethyl)pyrimidin-4-ol, 4-Hydroxy-2-(trifluoromethyl)pyrimidine, 2-(trifluoromethyl)-1H-pyrimidin-6-one, 2-Trifluoromethyl-pyrimidin-4-ol, 2-(trifluoromethyl)-3H-pyrimidin-4-one
| Molecular Formula | C5H3F3N2O |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.01974 |
| Heavy Atoms | 11 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 190-74-9 |
|---|---|
| SMILES | C1=CN=C(NC1=O)C(F)(F)F |
| InChIKey | PDCVDVCPQWFGAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Trifluoromethyl-pyrimidin-4-ol (CAS 190-74-9), with molecular formula C5H3F3N2O and molecular weight 164.02 g/mol. IUPAC: 2-(trifluoromethyl)-1H-pyrimidin-6-one.
Chemical Property Profile of 2-Trifluoromethyl-pyrimidin-4-ol
Property Insights of 2-Trifluoromethyl-pyrimidin-4-ol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Trifluoromethyl-pyrimidin-4-ol. With a topological polar surface area (TPSA) of 41.5 Ų, 2-Trifluoromethyl-pyrimidin-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Trifluoromethyl-pyrimidin-4-ol 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-Trifluoromethyl-pyrimidin-4-ol?
The CAS number of 2-Trifluoromethyl-pyrimidin-4-ol is 190-74-9.
What is the molecular formula of 2-Trifluoromethyl-pyrimidin-4-ol?
The molecular formula of 2-Trifluoromethyl-pyrimidin-4-ol is C5H3F3N2O.
What is the molecular weight of 2-Trifluoromethyl-pyrimidin-4-ol?
The molecular weight of 2-Trifluoromethyl-pyrimidin-4-ol is 164.02 g/mol.
Where can I buy 2-Trifluoromethyl-pyrimidin-4-ol?
You can request a quote for 2-Trifluoromethyl-pyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Trifluoromethyl-pyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Trifluoromethyl-pyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.