4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

C13H11F3N2O2 — CID 135968130

IUPAC4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccc2OC(F)(F)F)[nH]c(=O)c1C
InChIInChI=1S/C13H11F3N2O2/c1-7-8(2)17-11(18-12(7)19)9-5-3-4-6-10(9)20-13(14,15)16/h3-6H,1-2H3,(H,17,18,19)
InChIKeyFMVLAFOEANKRKK-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.95
Rot. Bonds2

About 4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (PubChem CID 135968130) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
PubChem CID135968130
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccc2OC(F)(F)F)[nH]c(=O)c1C
InChIInChI=1S/C13H11F3N2O2/c1-7-8(2)17-11(18-12(7)19)9-5-3-4-6-10(9)20-13(14,15)16/h3-6H,1-2H3,(H,17,18,19)
InChIKeyFMVLAFOEANKRKK-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (CID 135968130) is 4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccccc2OC(F)(F)F)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The InChIKey is FMVLAFOEANKRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-7-8(2)17-11(18-12(7)19)9-5-3-4-6-10(9)20-13(14,15)16/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of 4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one has a molecular weight of 284.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135968130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).