4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one

C10H6F3N3O — CID 113241920

IUPAC4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccn2)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)8-5-7(15-9(17)16-8)6-3-1-2-4-14-6/h1-5H,(H,15,16,17)
InChIKeyTUKZTCFUECOEMS-UHFFFAOYSA-N
MW241.17 g/mol
LogP1.85
Rot. Bonds1

About 4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one

4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 113241920) has the molecular formula C10H6F3N3O and a molecular weight of 241.17 g/mol. Its IUPAC name is 4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID113241920
Molecular FormulaC10H6F3N3O
Molecular Weight241.17 g/mol
Exact Mass241.05
IUPAC Name4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccn2)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)8-5-7(15-9(17)16-8)6-3-1-2-4-14-6/h1-5H,(H,15,16,17)
InChIKeyTUKZTCFUECOEMS-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ruthenium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 158678691
4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 125492218
2-pyridin-2-yl-6-(trifluoromethyl)pyridine
CID 72771068
4-(3-nitrophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 91926987
4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106514596
2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one
CID 5337137
2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58672250
2-phenyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine
CID 135069582
2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
CID 20807365
dimethyl(phenyl)phosphane;osmium;bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine)
CID 175190624
4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106521131

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one (CID 113241920) is 4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one is O=c1nc(-c2ccccn2)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is TUKZTCFUECOEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O/c11-10(12,13)8-5-7(15-9(17)16-8)6-3-1-2-4-14-6/h1-5H,(H,15,16,17).
What are the key properties of 4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one?
4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 241.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 113241920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).