2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

C11H7F3N2O — CID 135410007

IUPAC2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-6-9(17)16-10(15-8)7-4-2-1-3-5-7/h1-6H,(H,15,16,17)
InChIKeySMUCGWAIODOUCG-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.46
Rot. Bonds1

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

2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135410007) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135410007
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-6-9(17)16-10(15-8)7-4-2-1-3-5-7/h1-6H,(H,15,16,17)
InChIKeySMUCGWAIODOUCG-UHFFFAOYSA-N
XLogP2.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135410007) is 2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is SMUCGWAIODOUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)8-6-9(17)16-10(15-8)7-4-2-1-3-5-7/h1-6H,(H,15,16,17).
What are the key properties of 2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 240.18 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135410007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).