2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid

C6H4N2O5 — CID 66601198

IUPAC2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H4N2O5/c9-3(5(11)12)2-1-7-6(13)8-4(2)10/h1H,(H,11,12)(H2,7,8,10,13)
InChIKeyXADBMXPDILESBZ-UHFFFAOYSA-N
MW184.11 g/mol
LogP-1.67
Rot. Bonds2

About 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid

2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid (PubChem CID 66601198) has the molecular formula C6H4N2O5 and a molecular weight of 184.11 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid
PubChem CID66601198
Molecular FormulaC6H4N2O5
Molecular Weight184.11 g/mol
Exact Mass184.01
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H4N2O5/c9-3(5(11)12)2-1-7-6(13)8-4(2)10/h1H,(H,11,12)(H2,7,8,10,13)
InChIKeyXADBMXPDILESBZ-UHFFFAOYSA-N
XLogP-1.67
TPSA120.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid (CID 66601198) is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid is O=C(O)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid?
The InChIKey is XADBMXPDILESBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O5/c9-3(5(11)12)2-1-7-6(13)8-4(2)10/h1H,(H,11,12)(H2,7,8,10,13).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid?
2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid has a molecular weight of 184.11 g/mol, XLogP of -1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoacetic acid is sourced from PubChem (CID 66601198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).