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

C16H10N2Na2O3 — CID 23110850

IUPACdisodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate
SMILESO=C1N=C([O-])N=C([O-])C1(c1ccccc1)c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C16H12N2O3.2Na/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
InChIKeyFXLQHJXENWYOKM-UHFFFAOYSA-L
MW324.25 g/mol
LogP-6.00
Rot. Bonds2

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

disodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate (PubChem CID 23110850) has the molecular formula C16H10N2Na2O3 and a molecular weight of 324.25 g/mol. Its IUPAC name is disodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate.

Molecular Properties

Compound Namedisodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate
PubChem CID23110850
Molecular FormulaC16H10N2Na2O3
Molecular Weight324.25 g/mol
Exact Mass324.05
IUPAC Namedisodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate
SMILESO=C1N=C([O-])N=C([O-])C1(c1ccccc1)c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C16H12N2O3.2Na/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
InChIKeyFXLQHJXENWYOKM-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 ≤ 500324.25
LogP ≤ 5-6.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Disodium phenobarbital
CID 3042923
Calcium 5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate
CID 139595313
Dipotassium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate
CID 23110848
Dilithium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate
CID 23110849
Dipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate
CID 88791903
Disodium;5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate
CID 24834091
Sodium 2,6-dioxo-5,5-diphenylpyrimidin-4-olate
CID 102240024
Sodium 6-hydroxy-2-oxo-5-phenyl-5-(prop-2-en-1-yl)-2,5-dihydropyrimidin-4-olate
CID 138400231

Frequently Asked Questions

What is the IUPAC name of disodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate?
The IUPAC name of disodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate (CID 23110850) is disodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate.
What is the SMILES notation for disodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate?
The canonical SMILES for disodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate is O=C1N=C([O-])N=C([O-])C1(c1ccccc1)c1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate?
The InChIKey is FXLQHJXENWYOKM-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H12N2O3.2Na/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 disodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate?
disodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate has a molecular weight of 324.25 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 disodium;6-oxo-5,5-diphenylpyrimidine-2,4-diolate is sourced from PubChem (CID 23110850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).