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

C13H11F3N2O — CID 135430318

IUPAC5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCc1c(C(F)(F)F)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H11F3N2O/c1-2-9-10(13(14,15)16)17-11(18-12(9)19)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyMXYMYBFNIRJGEP-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.02
Rot. Bonds2

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

5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135430318) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135430318
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCc1c(C(F)(F)F)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H11F3N2O/c1-2-9-10(13(14,15)16)17-11(18-12(9)19)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyMXYMYBFNIRJGEP-UHFFFAOYSA-N
XLogP3.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135430318) is 5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is CCc1c(C(F)(F)F)nc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is MXYMYBFNIRJGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-2-9-10(13(14,15)16)17-11(18-12(9)19)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,17,18,19).
What are the key properties of 5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 268.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135430318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).