4-Hydroxy-6-methyl-2-(trifluoromethyl)pyrimidine - CAS 2557-79-1
Catalog: |
BB018962 |
Product Name: |
4-Hydroxy-6-methyl-2-(trifluoromethyl)pyrimidine |
CAS: |
2557-79-1 |
Synonyms: |
4-methyl-2-(trifluoromethyl)-1H-pyrimidin-6-one; 4-methyl-2-(trifluoromethyl)-1H-pyrimidin-6-one |
IUPAC Name: | 4-methyl-2-(trifluoromethyl)-1H-pyrimidin-6-one |
Description: | 4-Hydroxy-6-methyl-2-(trifluoromethyl)pyrimidine (CAS# 2557-79-1) is a useful research chemical. |
Molecular Weight: | 178.11 |
Molecular Formula: | C6H5F3N2O |
Canonical SMILES: | CC1=CC(=O)NC(=N1)C(F)(F)F |
InChI: | InChI=1S/C6H5F3N2O/c1-3-2-4(12)11-5(10-3)6(7,8)9/h2H,1H3,(H,10,11,12) |
InChI Key: | UCULFLJNPKTZFE-UHFFFAOYSA-N |
Boiling Point: | 148.6 °C at 760 mmHg |
Density: | 1.47 g/cm3 |
Appearance: | Off white powder |
MDL: | MFCD08436594 |
LogP: | 1.50940 |
Publication Number | Title | Priority Date |
AU-2016262969-A1 | Substituted tetrahydroquinolinone compounds as ROR gamma modulators | 20150515 |
EP-3294713-A1 | Substituted tetrahydroquinolinone compounds as ror gamma modulators | 20150515 |
JP-2018515531-A | Substituted tetrahydroquinoline compounds as ROR gamma modulators | 20150515 |
JP-6684516-B2 | Substituted tetrahydroquinoline compounds as ROR gamma modulators | 20150515 |
KR-20180029971-A | Substituted tetrahydroquinolinone compounds as ROR gamma modulators | 20150515 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.03539727 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.03539727 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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