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

C7H7F3N2O — CID 135678130

IUPAC2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H7F3N2O/c1-2-5-11-4(7(8,9)10)3-6(13)12-5/h3H,2H2,1H3,(H,11,12,13)
InChIKeyOMAWQFBBDXPSSD-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.35
Rot. Bonds1

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

2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135678130) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135678130
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H7F3N2O/c1-2-5-11-4(7(8,9)10)3-6(13)12-5/h3H,2H2,1H3,(H,11,12,13)
InChIKeyOMAWQFBBDXPSSD-UHFFFAOYSA-N
XLogP1.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Isopropyl-6-methyl-4-pyrimidinol
CID 135444498
2,6-Dimethyl-1H-pyrimidin-4-one
CID 135408640
4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine
CID 135416727
6-Amino-2-(trifluoromethyl)pyrimidin-4-ol
CID 135408606
2,6-Bis(trifluoromethyl)pyrimidin-4-ol
CID 135408608
6-Methyl-2-trifluoromethylpyrimidin-4-ol
CID 135408616
2-Cyclopropyl-6-(trifluoromethyl)pyrimidin-4-ol
CID 135438221
2-(2-aminopropan-2-yl)-4-(difluoromethyl)-1H-pyrimidin-6-one
CID 136103366
6-methyl-2-propylpyrimidin-4(3H)-one
CID 135516607
5-Fluoro-2,6-dimethylpyrimidin-4(1h)-one
CID 135416969
6-(Fluoromethyl)-2-methylpyrimidin-4(1h)-one
CID 135481232
2-(Chloromethyl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 136264589

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135678130) is 2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is CCc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is OMAWQFBBDXPSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-2-5-11-4(7(8,9)10)3-6(13)12-5/h3H,2H2,1H3,(H,11,12,13).
What are the key properties of 2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 192.14 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135678130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).