bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc

C10H8N4O8Zn — CID 71307492

IUPACbis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Zn]
InChIInChI=1S/2C5H4N2O4.Zn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);
InChIKeyLUALAXHLCYKCNS-UHFFFAOYSA-N
MW377.58 g/mol
LogP-2.48
Rot. Bonds2

About bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc

bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc (PubChem CID 71307492) has the molecular formula C10H8N4O8Zn and a molecular weight of 377.58 g/mol. Its IUPAC name is bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc.

Molecular Properties

Compound Namebis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc
PubChem CID71307492
Molecular FormulaC10H8N4O8Zn
Molecular Weight377.58 g/mol
Exact Mass375.96
IUPAC Namebis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Zn]
InChIInChI=1S/2C5H4N2O4.Zn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);
InChIKeyLUALAXHLCYKCNS-UHFFFAOYSA-N
XLogP-2.48
TPSA206.04 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.58
LogP ≤ 5-2.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc?
The IUPAC name of bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc (CID 71307492) is bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc.
What is the SMILES notation for bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc?
The canonical SMILES for bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc is O=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Zn].
What is the InChIKey of bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc?
The InChIKey is LUALAXHLCYKCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N2O4.Zn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);.
What are the key properties of bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc?
bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc has a molecular weight of 377.58 g/mol, XLogP of -2.48, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc is sourced from PubChem (CID 71307492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).