dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate

C16H10Li2N2O3 — CID 23110849

IUPACdilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate
SMILESO=C1N=C([O-])N=C([O-])C1(c1ccccc1)c1ccccc1.[Li+].[Li+]
InChIInChI=1S/C16H12N2O3.2Li/c19-13-16(11-7-3-1-4-8-11,12-9-5-2-6-10-12)14(20)18-15(21)17-13;;/h1-10H,(H2,17,18,19,20,21);;/q;2*+1/p-2
InChIKeyZQLQIIRJFQEQHG-UHFFFAOYSA-L
MW292.15 g/mol
LogP-6.00
Rot. Bonds2

About dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate

dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate (PubChem CID 23110849) has the molecular formula C16H10Li2N2O3 and a molecular weight of 292.15 g/mol. Its IUPAC name is dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate.

Molecular Properties

Compound Namedilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate
PubChem CID23110849
Molecular FormulaC16H10Li2N2O3
Molecular Weight292.15 g/mol
Exact Mass292.10
IUPAC Namedilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate
SMILESO=C1N=C([O-])N=C([O-])C1(c1ccccc1)c1ccccc1.[Li+].[Li+]
InChIInChI=1S/C16H12N2O3.2Li/c19-13-16(11-7-3-1-4-8-11,12-9-5-2-6-10-12)14(20)18-15(21)17-13;;/h1-10H,(H2,17,18,19,20,21);;/q;2*+1/p-2
InChIKeyZQLQIIRJFQEQHG-UHFFFAOYSA-L
XLogP-6.00
TPSA87.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 5-6.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate?
The IUPAC name of dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate (CID 23110849) is dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate.
What is the SMILES notation for dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate?
The canonical SMILES for dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate is O=C1N=C([O-])N=C([O-])C1(c1ccccc1)c1ccccc1.[Li+].[Li+].
What is the InChIKey of dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate?
The InChIKey is ZQLQIIRJFQEQHG-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H12N2O3.2Li/c19-13-16(11-7-3-1-4-8-11,12-9-5-2-6-10-12)14(20)18-15(21)17-13;;/h1-10H,(H2,17,18,19,20,21);;/q;2*+1/p-2.
What are the key properties of dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate?
dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate has a molecular weight of 292.15 g/mol, XLogP of -6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate is sourced from PubChem (CID 23110849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).