5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

C13H11F3N2O2 — CID 63613617

IUPAC5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2cccc(C(F)(F)F)c2)[nH]c1=O
InChIInChI=1S/C13H11F3N2O2/c1-2-9-11(19)17-10(18-12(9)20)7-4-3-5-8(6-7)13(14,15)16/h3-6H,2H2,1H3,(H2,17,18,19,20)
InChIKeyBWGKLUIWZMWCRR-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.72
Rot. Bonds2

About 5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 63613617) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID63613617
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2cccc(C(F)(F)F)c2)[nH]c1=O
InChIInChI=1S/C13H11F3N2O2/c1-2-9-11(19)17-10(18-12(9)20)7-4-3-5-8(6-7)13(14,15)16/h3-6H,2H2,1H3,(H2,17,18,19,20)
InChIKeyBWGKLUIWZMWCRR-UHFFFAOYSA-N
XLogP2.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 63613617) is 5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is CCc1c(O)nc(-c2cccc(C(F)(F)F)c2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is BWGKLUIWZMWCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-2-9-11(19)17-10(18-12(9)20)7-4-3-5-8(6-7)13(14,15)16/h3-6H,2H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 284.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 63613617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).