2,4-dioxopyrimidine-1-carboxylic acid;zinc

C5H4N2O4Zn — CID 174838815

IUPAC2,4-dioxopyrimidine-1-carboxylic acid;zinc
SMILESO=C(O)n1ccc(=O)[nH]c1=O.[Zn]
InChIInChI=1S/C5H4N2O4.Zn/c8-3-1-2-7(5(10)11)4(9)6-3;/h1-2H,(H,10,11)(H,6,8,9);
InChIKeyGEXPOWLRWHHEFT-UHFFFAOYSA-N
MW221.49 g/mol
LogP-0.94
Rot. Bonds

About 2,4-dioxopyrimidine-1-carboxylic acid;zinc

2,4-dioxopyrimidine-1-carboxylic acid;zinc (PubChem CID 174838815) has the molecular formula C5H4N2O4Zn and a molecular weight of 221.49 g/mol. Its IUPAC name is 2,4-dioxopyrimidine-1-carboxylic acid;zinc.

Molecular Properties

Compound Name2,4-dioxopyrimidine-1-carboxylic acid;zinc
PubChem CID174838815
Molecular FormulaC5H4N2O4Zn
Molecular Weight221.49 g/mol
Exact Mass219.95
IUPAC Name2,4-dioxopyrimidine-1-carboxylic acid;zinc
SMILESO=C(O)n1ccc(=O)[nH]c1=O.[Zn]
InChIInChI=1S/C5H4N2O4.Zn/c8-3-1-2-7(5(10)11)4(9)6-3;/h1-2H,(H,10,11)(H,6,8,9);
InChIKeyGEXPOWLRWHHEFT-UHFFFAOYSA-N
XLogP-0.94
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.49
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid
CID 66599108
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
4-hydroxy-2-oxopyridine-1-carboxylic acid
CID 174965959
N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide
CID 4089449
9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate
CID 90901938

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxopyrimidine-1-carboxylic acid;zinc?
The IUPAC name of 2,4-dioxopyrimidine-1-carboxylic acid;zinc (CID 174838815) is 2,4-dioxopyrimidine-1-carboxylic acid;zinc.
What is the SMILES notation for 2,4-dioxopyrimidine-1-carboxylic acid;zinc?
The canonical SMILES for 2,4-dioxopyrimidine-1-carboxylic acid;zinc is O=C(O)n1ccc(=O)[nH]c1=O.[Zn].
What is the InChIKey of 2,4-dioxopyrimidine-1-carboxylic acid;zinc?
The InChIKey is GEXPOWLRWHHEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.Zn/c8-3-1-2-7(5(10)11)4(9)6-3;/h1-2H,(H,10,11)(H,6,8,9);.
What are the key properties of 2,4-dioxopyrimidine-1-carboxylic acid;zinc?
2,4-dioxopyrimidine-1-carboxylic acid;zinc has a molecular weight of 221.49 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxopyrimidine-1-carboxylic acid;zinc is sourced from PubChem (CID 174838815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).