magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate

C10H6MgN4O8 — CID 136794844

IUPACmagnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c([O-])n1.[Mg+2]
InChIInChI=1S/2C5H4N2O4.Mg/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
InChIKeyQWLHYYKDLOVBNV-UHFFFAOYSA-L
MW334.48 g/mol
LogP-4.41
Rot. Bonds2

About magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate

magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 136794844) has the molecular formula C10H6MgN4O8 and a molecular weight of 334.48 g/mol. Its IUPAC name is magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemagnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID136794844
Molecular FormulaC10H6MgN4O8
Molecular Weight334.48 g/mol
Exact Mass334.00
IUPAC Namemagnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c([O-])n1.[Mg+2]
InChIInChI=1S/2C5H4N2O4.Mg/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
InChIKeyQWLHYYKDLOVBNV-UHFFFAOYSA-L
XLogP-4.41
TPSA211.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 5-4.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate (CID 136794844) is magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate is O=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c([O-])n1.[Mg+2].
What is the InChIKey of magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is QWLHYYKDLOVBNV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H4N2O4.Mg/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2.
What are the key properties of magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate?
magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 334.48 g/mol, XLogP of -4.41, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 136794844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).