2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one

C13H11F3N2O2 — CID 135419007

IUPAC2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(Oc2cccc(C(F)(F)F)c2)c(=O)[nH]1
InChIInChI=1S/C13H11F3N2O2/c1-7-11(12(19)18-8(2)17-7)20-10-5-3-4-9(6-10)13(14,15)16/h3-6H,1-2H3,(H,17,18,19)
InChIKeyIMOBXWWNOZJNSF-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.20
Rot. Bonds2

About 2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one

2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one (PubChem CID 135419007) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
PubChem CID135419007
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(Oc2cccc(C(F)(F)F)c2)c(=O)[nH]1
InChIInChI=1S/C13H11F3N2O2/c1-7-11(12(19)18-8(2)17-7)20-10-5-3-4-9(6-10)13(14,15)16/h3-6H,1-2H3,(H,17,18,19)
InChIKeyIMOBXWWNOZJNSF-UHFFFAOYSA-N
XLogP3.20
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one (CID 135419007) is 2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one is Cc1nc(C)c(Oc2cccc(C(F)(F)F)c2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The InChIKey is IMOBXWWNOZJNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-7-11(12(19)18-8(2)17-7)20-10-5-3-4-9(6-10)13(14,15)16/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of 2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one has a molecular weight of 284.24 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 135419007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).