2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid

C7H5F3N2O4 — CID 67215233

IUPAC2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)n1CC(F)(F)F
InChIInChI=1S/C7H5F3N2O4/c8-7(9,10)2-12-3(5(14)15)1-4(13)11-6(12)16/h1H,2H2,(H,14,15)(H,11,13,16)
InChIKeyTUDZIYWAXFVGNA-UHFFFAOYSA-N
MW238.12 g/mol
LogP-0.20
Rot. Bonds2

About 2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid

2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid (PubChem CID 67215233) has the molecular formula C7H5F3N2O4 and a molecular weight of 238.12 g/mol. Its IUPAC name is 2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid
PubChem CID67215233
Molecular FormulaC7H5F3N2O4
Molecular Weight238.12 g/mol
Exact Mass238.02
IUPAC Name2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)n1CC(F)(F)F
InChIInChI=1S/C7H5F3N2O4/c8-7(9,10)2-12-3(5(14)15)1-4(13)11-6(12)16/h1H,2H2,(H,14,15)(H,11,13,16)
InChIKeyTUDZIYWAXFVGNA-UHFFFAOYSA-N
XLogP-0.20
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Orotic Acid
CID 967
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, hydrate (1:1)
CID 16218504
1-Methylorotic acid
CID 150845
6-Hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid
CID 1487350
1,2,3,6-Tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid
CID 169369
2,4-dioxo-3-(trifluoromethyl)-1H-pyrimidine-6-carboxylic acid
CID 22118540
2,6-Dioxo-3-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 54219144
3-(fluoromethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 67913364
3-(Fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid
CID 67913366
Orotic Acid-15N2 Monohydrate
CID 131848467
2,4-Dioxopyrimidine-1,6-dicarboxylic acid
CID 91358014
Orotic-6-14C acid
CID 134668

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid (CID 67215233) is 2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c(=O)n1CC(F)(F)F.
What is the InChIKey of 2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid?
The InChIKey is TUDZIYWAXFVGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O4/c8-7(9,10)2-12-3(5(14)15)1-4(13)11-6(12)16/h1H,2H2,(H,14,15)(H,11,13,16).
What are the key properties of 2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid?
2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid has a molecular weight of 238.12 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxo-3-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 67215233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).