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

C7H7F3N2O2 — CID 135741815

IUPAC2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCOc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H7F3N2O2/c1-2-14-6-11-4(7(8,9)10)3-5(13)12-6/h3H,2H2,1H3,(H,11,12,13)
InChIKeyFQUZOIJLOIHYLB-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.19
Rot. Bonds2

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

2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135741815) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135741815
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCOc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H7F3N2O2/c1-2-14-6-11-4(7(8,9)10)3-5(13)12-6/h3H,2H2,1H3,(H,11,12,13)
InChIKeyFQUZOIJLOIHYLB-UHFFFAOYSA-N
XLogP1.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-6-methyl-3,4-dihydropyrimidin-4-one
CID 135437273
2-Isopropoxy-4-methyl-6-hydroxypyrimidine
CID 135803833
2-Isopropoxy-6-(trifluoromethyl)pyrimidin-4-ol
CID 135442232
5-Fluoro-2-methoxy-6-methylpyrimidin-4(1H)-one
CID 135490606
2-Methoxy-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135504050
2-propoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135711055
2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135711056
ethane;2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 144074754
2-n-Butoxy-4-hydroxy-6-methylpyrimidine
CID 137182906
6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-olate
CID 136349476
2-Ethoxy-4-hydroxy-6-methylpyrimidine
CID 135803818
4-methyl-2-propoxy-1H-pyrimidin-6-one
CID 136649986

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135741815) is 2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one is CCOc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is FQUZOIJLOIHYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-2-14-6-11-4(7(8,9)10)3-5(13)12-6/h3H,2H2,1H3,(H,11,12,13).
What are the key properties of 2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 208.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135741815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).