2,4-dioxopyrimidine-1,6-dicarboxylic acid

C6H4N2O6 — CID 91358014

IUPAC2,4-dioxopyrimidine-1,6-dicarboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)n1C(=O)O
InChIInChI=1S/C6H4N2O6/c9-3-1-2(4(10)11)8(6(13)14)5(12)7-3/h1H,(H,10,11)(H,13,14)(H,7,9,12)
InChIKeyLLDSAXSSPZQMSC-UHFFFAOYSA-N
MW200.11 g/mol
LogP-1.24
Rot. Bonds1

About 2,4-dioxopyrimidine-1,6-dicarboxylic acid

2,4-dioxopyrimidine-1,6-dicarboxylic acid (PubChem CID 91358014) has the molecular formula C6H4N2O6 and a molecular weight of 200.11 g/mol. Its IUPAC name is 2,4-dioxopyrimidine-1,6-dicarboxylic acid.

Molecular Properties

Compound Name2,4-dioxopyrimidine-1,6-dicarboxylic acid
PubChem CID91358014
Molecular FormulaC6H4N2O6
Molecular Weight200.11 g/mol
Exact Mass200.01
IUPAC Name2,4-dioxopyrimidine-1,6-dicarboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)n1C(=O)O
InChIInChI=1S/C6H4N2O6/c9-3-1-2(4(10)11)8(6(13)14)5(12)7-3/h1H,(H,10,11)(H,13,14)(H,7,9,12)
InChIKeyLLDSAXSSPZQMSC-UHFFFAOYSA-N
XLogP-1.24
TPSA129.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxopyrimidine-1,6-dicarboxylic acid?
The IUPAC name of 2,4-dioxopyrimidine-1,6-dicarboxylic acid (CID 91358014) is 2,4-dioxopyrimidine-1,6-dicarboxylic acid.
What is the SMILES notation for 2,4-dioxopyrimidine-1,6-dicarboxylic acid?
The canonical SMILES for 2,4-dioxopyrimidine-1,6-dicarboxylic acid is O=C(O)c1cc(=O)[nH]c(=O)n1C(=O)O.
What is the InChIKey of 2,4-dioxopyrimidine-1,6-dicarboxylic acid?
The InChIKey is LLDSAXSSPZQMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O6/c9-3-1-2(4(10)11)8(6(13)14)5(12)7-3/h1H,(H,10,11)(H,13,14)(H,7,9,12).
What are the key properties of 2,4-dioxopyrimidine-1,6-dicarboxylic acid?
2,4-dioxopyrimidine-1,6-dicarboxylic acid has a molecular weight of 200.11 g/mol, XLogP of -1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxopyrimidine-1,6-dicarboxylic acid is sourced from PubChem (CID 91358014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).