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

C10H6N4O8Zn-2 — CID 21118449

IUPACbis(2,4-dioxo-1H-pyrimidine-6-carboxylate);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);/p-2
InChIKeyLUALAXHLCYKCNS-UHFFFAOYSA-L
MW375.57 g/mol
LogP-5.15
Rot. Bonds2

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

bis(2,4-dioxo-1H-pyrimidine-6-carboxylate);zinc (PubChem CID 21118449) has the molecular formula C10H6N4O8Zn-2 and a molecular weight of 375.57 g/mol. Its IUPAC name is bis(2,4-dioxo-1H-pyrimidine-6-carboxylate);zinc.

Molecular Properties

Compound Namebis(2,4-dioxo-1H-pyrimidine-6-carboxylate);zinc
PubChem CID21118449
Molecular FormulaC10H6N4O8Zn-2
Molecular Weight375.57 g/mol
Exact Mass373.95
IUPAC Namebis(2,4-dioxo-1H-pyrimidine-6-carboxylate);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);/p-2
InChIKeyLUALAXHLCYKCNS-UHFFFAOYSA-L
XLogP-5.15
TPSA211.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.57
LogP ≤ 5-5.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-carboxylate);zinc?
The IUPAC name of bis(2,4-dioxo-1H-pyrimidine-6-carboxylate);zinc (CID 21118449) is bis(2,4-dioxo-1H-pyrimidine-6-carboxylate);zinc.
What is the SMILES notation for bis(2,4-dioxo-1H-pyrimidine-6-carboxylate);zinc?
The canonical SMILES for bis(2,4-dioxo-1H-pyrimidine-6-carboxylate);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-carboxylate);zinc?
The InChIKey is LUALAXHLCYKCNS-UHFFFAOYSA-L. 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);/p-2.
What are the key properties of bis(2,4-dioxo-1H-pyrimidine-6-carboxylate);zinc?
bis(2,4-dioxo-1H-pyrimidine-6-carboxylate);zinc has a molecular weight of 375.57 g/mol, XLogP of -5.15, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dioxo-1H-pyrimidine-6-carboxylate);zinc is sourced from PubChem (CID 21118449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).