2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one

C6H5F3N2O2 — CID 135504050

IUPAC2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCOc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C6H5F3N2O2/c1-13-5-10-3(6(7,8)9)2-4(12)11-5/h2H,1H3,(H,10,11,12)
InChIKeyILOOCRYHYUMTKL-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.80
Rot. Bonds1

About 2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135504050) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135504050
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCOc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C6H5F3N2O2/c1-13-5-10-3(6(7,8)9)2-4(12)11-5/h2H,1H3,(H,10,11,12)
InChIKeyILOOCRYHYUMTKL-UHFFFAOYSA-N
XLogP0.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135504050) is 2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one is COc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is ILOOCRYHYUMTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c1-13-5-10-3(6(7,8)9)2-4(12)11-5/h2H,1H3,(H,10,11,12).
What are the key properties of 2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 194.11 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135504050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).