2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid

C6H4N2O5 — CID 66599108

IUPAC2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C6H4N2O5/c9-3-1-2-8(6(13)7-3)4(10)5(11)12/h1-2H,(H,11,12)(H,7,9,13)
InChIKeyUACCAUOAFSPIOO-UHFFFAOYSA-N
MW184.11 g/mol
LogP-1.74
Rot. Bonds

About 2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid

2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid (PubChem CID 66599108) has the molecular formula C6H4N2O5 and a molecular weight of 184.11 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid
PubChem CID66599108
Molecular FormulaC6H4N2O5
Molecular Weight184.11 g/mol
Exact Mass184.01
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C6H4N2O5/c9-3-1-2-8(6(13)7-3)4(10)5(11)12/h1-2H,(H,11,12)(H,7,9,13)
InChIKeyUACCAUOAFSPIOO-UHFFFAOYSA-N
XLogP-1.74
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,4-dioxopyrimidine-1-carboxylic acid;zinc
CID 174838815
2,4-dioxopyrimidine-1-carboxamide
CID 54056435
1-(1-fluoroethenyl)pyrimidine-2,4-dione
CID 67743513
1-prop-1-en-2-ylpyrimidine-2,4-dione
CID 144698021
1-pent-4-ynoylpyrimidine-2,4-dione
CID 100999366
1-(5-bromopentanoyl)pyrimidine-2,4-dione
CID 125478537
1-[3-[2-(2-aminoethoxy)ethoxy]propanoyl]pyrimidine-2,4-dione
CID 118606674
(2,4-dioxopyrimidin-1-yl) acetate
CID 57007226
1-bromopyrimidine-2,4-dione
CID 18634533
N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide
CID 4089449
9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate
CID 90901938
N-(2,4-dioxopyrimidin-1-yl)acetamide
CID 11819433

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid (CID 66599108) is 2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid is O=C(O)C(=O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid?
The InChIKey is UACCAUOAFSPIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O5/c9-3-1-2-8(6(13)7-3)4(10)5(11)12/h1-2H,(H,11,12)(H,7,9,13).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid?
2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid has a molecular weight of 184.11 g/mol, XLogP of -1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid is sourced from PubChem (CID 66599108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).