disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate

C12H10N2Na2O3 — CID 3042923

IUPACdisodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate
SMILESCCC1(c2ccccc2)C(=O)N=C([O-])N=C1[O-].[Na+].[Na+]
InChIInChI=1S/C12H12N2O3.2Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);;/q;2*+1/p-2
InChIKeyZBEJRDPRSCGLPU-UHFFFAOYSA-L
MW276.20 g/mol
LogP-6.64
Rot. Bonds2

About disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate

disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate (PubChem CID 3042923) has the molecular formula C12H10N2Na2O3 and a molecular weight of 276.20 g/mol. Its IUPAC name is disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate.

Molecular Properties

Compound Namedisodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate
PubChem CID3042923
Molecular FormulaC12H10N2Na2O3
Molecular Weight276.20 g/mol
Exact Mass276.05
IUPAC Namedisodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate
SMILESCCC1(c2ccccc2)C(=O)N=C([O-])N=C1[O-].[Na+].[Na+]
InChIInChI=1S/C12H12N2O3.2Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);;/q;2*+1/p-2
InChIKeyZBEJRDPRSCGLPU-UHFFFAOYSA-L
XLogP-6.64
TPSA87.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 5-6.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate?
The IUPAC name of disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate (CID 3042923) is disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate.
What is the SMILES notation for disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate?
The canonical SMILES for disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate is CCC1(c2ccccc2)C(=O)N=C([O-])N=C1[O-].[Na+].[Na+].
What is the InChIKey of disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate?
The InChIKey is ZBEJRDPRSCGLPU-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H12N2O3.2Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);;/q;2*+1/p-2.
What are the key properties of disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate?
disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate has a molecular weight of 276.20 g/mol, XLogP of -6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate is sourced from PubChem (CID 3042923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).