3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C8H9F3N2O3 — CID 90819372

IUPAC3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(O)n(CC(F)(F)F)c1=O
InChIInChI=1S/C8H9F3N2O3/c1-2-12-5(14)3-6(15)13(7(12)16)4-8(9,10)11/h3,15H,2,4H2,1H3
InChIKeyRYWOEYJRDWFXLG-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.30
Rot. Bonds2

About 3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 90819372) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID90819372
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(O)n(CC(F)(F)F)c1=O
InChIInChI=1S/C8H9F3N2O3/c1-2-12-5(14)3-6(15)13(7(12)16)4-8(9,10)11/h3,15H,2,4H2,1H3
InChIKeyRYWOEYJRDWFXLG-UHFFFAOYSA-N
XLogP0.30
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, 2,2,2-trifluoro-N-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-
CID 342904
6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 11344138
1,3-Diethyl-6-hydroxypyrimidine-2,4-dione
CID 14496865
6-[2-Fluoroethyl(methyl)amino]-1,3-dimethylpyrimidine-2,4-dione
CID 137956467
1-Methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 11172400
6-Hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 59482200
1-Methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 60734977
3-Ethyl-6-hydroxy-2-sulfanylidene-1-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 91124879
6-Hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
CID 91396181
1,3-Dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 91396299
6-Hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione
CID 123818741
3-Methyl-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 137454044

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 90819372) is 3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is CCn1c(=O)cc(O)n(CC(F)(F)F)c1=O.
What is the InChIKey of 3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is RYWOEYJRDWFXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-2-12-5(14)3-6(15)13(7(12)16)4-8(9,10)11/h3,15H,2,4H2,1H3.
What are the key properties of 3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 238.16 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 90819372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).