magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)

C24H22MgN4O6 — CID 56842055

IUPACmagnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)
SMILESCCC1(c2ccccc2)C(=O)NC(=O)N=C1[O-].CCC1(c2ccccc2)C(=O)NC(=O)N=C1[O-].[Mg+2]
InChIInChI=1S/2C12H12N2O3.Mg/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2
InChIKeyLJVBIGYQTUCCSB-UHFFFAOYSA-L
MW486.77 g/mol
LogP0.31
Rot. Bonds4

About magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)

magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate) (PubChem CID 56842055) has the molecular formula C24H22MgN4O6 and a molecular weight of 486.77 g/mol. Its IUPAC name is magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate).

Molecular Properties

Compound Namemagnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)
PubChem CID56842055
Molecular FormulaC24H22MgN4O6
Molecular Weight486.77 g/mol
Exact Mass486.14
IUPAC Namemagnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)
SMILESCCC1(c2ccccc2)C(=O)NC(=O)N=C1[O-].CCC1(c2ccccc2)C(=O)NC(=O)N=C1[O-].[Mg+2]
InChIInChI=1S/2C12H12N2O3.Mg/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2
InChIKeyLJVBIGYQTUCCSB-UHFFFAOYSA-L
XLogP0.31
TPSA163.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.77
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)?
The IUPAC name of magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate) (CID 56842055) is magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate).
What is the SMILES notation for magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)?
The canonical SMILES for magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate) is CCC1(c2ccccc2)C(=O)NC(=O)N=C1[O-].CCC1(c2ccccc2)C(=O)NC(=O)N=C1[O-].[Mg+2].
What is the InChIKey of magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)?
The InChIKey is LJVBIGYQTUCCSB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H12N2O3.Mg/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2.
What are the key properties of magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)?
magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate) has a molecular weight of 486.77 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate) is sourced from PubChem (CID 56842055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).