(5-ethyl-2,4-dioxopyrimidin-1-yl)mercury

C6H7HgN2O2 — CID 12805649

IUPAC(5-ethyl-2,4-dioxopyrimidin-1-yl)mercury
SMILESCCc1cn([Hg])c(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O2.Hg/c1-2-4-3-7-6(10)8-5(4)9;/h3H,2H2,1H3,(H2,7,8,9,10);/q;+1/p-1
InChIKeyRBFALNZTTHHNHM-UHFFFAOYSA-M
MW339.72 g/mol
LogP-0.59
Rot. Bonds1

About (5-ethyl-2,4-dioxopyrimidin-1-yl)mercury

(5-ethyl-2,4-dioxopyrimidin-1-yl)mercury (PubChem CID 12805649) has the molecular formula C6H7HgN2O2 and a molecular weight of 339.72 g/mol. Its IUPAC name is (5-ethyl-2,4-dioxopyrimidin-1-yl)mercury.

Molecular Properties

Compound Name(5-ethyl-2,4-dioxopyrimidin-1-yl)mercury
PubChem CID12805649
Molecular FormulaC6H7HgN2O2
Molecular Weight339.72 g/mol
Exact Mass341.02
IUPAC Name(5-ethyl-2,4-dioxopyrimidin-1-yl)mercury
SMILESCCc1cn([Hg])c(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O2.Hg/c1-2-4-3-7-6(10)8-5(4)9;/h3H,2H2,1H3,(H2,7,8,9,10);/q;+1/p-1
InChIKeyRBFALNZTTHHNHM-UHFFFAOYSA-M
XLogP-0.59
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.72
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5-ethyl-2,4-dioxopyrimidin-1-yl)mercury?
The IUPAC name of (5-ethyl-2,4-dioxopyrimidin-1-yl)mercury (CID 12805649) is (5-ethyl-2,4-dioxopyrimidin-1-yl)mercury.
What is the SMILES notation for (5-ethyl-2,4-dioxopyrimidin-1-yl)mercury?
The canonical SMILES for (5-ethyl-2,4-dioxopyrimidin-1-yl)mercury is CCc1cn([Hg])c(=O)[nH]c1=O.
What is the InChIKey of (5-ethyl-2,4-dioxopyrimidin-1-yl)mercury?
The InChIKey is RBFALNZTTHHNHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O2.Hg/c1-2-4-3-7-6(10)8-5(4)9;/h3H,2H2,1H3,(H2,7,8,9,10);/q;+1/p-1.
What are the key properties of (5-ethyl-2,4-dioxopyrimidin-1-yl)mercury?
(5-ethyl-2,4-dioxopyrimidin-1-yl)mercury has a molecular weight of 339.72 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,4-dioxopyrimidin-1-yl)mercury is sourced from PubChem (CID 12805649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).