2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

C14H11F3N2O — CID 137179303

IUPAC2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESC=CCc1c(C(F)(F)F)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H11F3N2O/c1-2-6-10-11(14(15,16)17)18-12(19-13(10)20)9-7-4-3-5-8-9/h2-5,7-8H,1,6H2,(H,18,19,20)
InChIKeyFNNYRDDUUQZAMJ-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.18
Rot. Bonds3

About 2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 137179303) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID137179303
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESC=CCc1c(C(F)(F)F)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H11F3N2O/c1-2-6-10-11(14(15,16)17)18-12(19-13(10)20)9-7-4-3-5-8-9/h2-5,7-8H,1,6H2,(H,18,19,20)
InChIKeyFNNYRDDUUQZAMJ-UHFFFAOYSA-N
XLogP3.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 137179303) is 2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is C=CCc1c(C(F)(F)F)nc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is FNNYRDDUUQZAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-2-6-10-11(14(15,16)17)18-12(19-13(10)20)9-7-4-3-5-8-9/h2-5,7-8H,1,6H2,(H,18,19,20).
What are the key properties of 2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 280.25 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137179303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).