2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid

C6H3F3N2O4 — CID 83401442

IUPAC2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H3F3N2O4/c7-6(8,9)2-1(4(13)14)3(12)11-5(15)10-2/h(H,13,14)(H2,10,11,12,15)
InChIKeyARCCGMVPKWCDAG-UHFFFAOYSA-N
MW224.09 g/mol
LogP-0.22
Rot. Bonds1

About 2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid

2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid (PubChem CID 83401442) has the molecular formula C6H3F3N2O4 and a molecular weight of 224.09 g/mol. Its IUPAC name is 2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid
PubChem CID83401442
Molecular FormulaC6H3F3N2O4
Molecular Weight224.09 g/mol
Exact Mass224.00
IUPAC Name2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H3F3N2O4/c7-6(8,9)2-1(4(13)14)3(12)11-5(15)10-2/h(H,13,14)(H2,10,11,12,15)
InChIKeyARCCGMVPKWCDAG-UHFFFAOYSA-N
XLogP-0.22
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid (CID 83401442) is 2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid is O=C(O)c1c(C(F)(F)F)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid?
The InChIKey is ARCCGMVPKWCDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O4/c7-6(8,9)2-1(4(13)14)3(12)11-5(15)10-2/h(H,13,14)(H2,10,11,12,15).
What are the key properties of 2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid?
2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid has a molecular weight of 224.09 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83401442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).