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

C12H10K2N2O3 — CID 88791903

IUPACdipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate
SMILESCCC1(c2ccccc2)C(=O)N=C([O-])N=C1[O-].[K+].[K+]
InChIInChI=1S/C12H12N2O3.2K/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
InChIKeyZDEDEPOUNYEKNT-UHFFFAOYSA-L
MW308.42 g/mol
LogP-6.64
Rot. Bonds2

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

dipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate (PubChem CID 88791903) has the molecular formula C12H10K2N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is dipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate.

Molecular Properties

Compound Namedipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate
PubChem CID88791903
Molecular FormulaC12H10K2N2O3
Molecular Weight308.42 g/mol
Exact Mass308.00
IUPAC Namedipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate
SMILESCCC1(c2ccccc2)C(=O)N=C([O-])N=C1[O-].[K+].[K+]
InChIInChI=1S/C12H12N2O3.2K/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
InChIKeyZDEDEPOUNYEKNT-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 ≤ 500308.42
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 dipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate?
The IUPAC name of dipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate (CID 88791903) is dipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate.
What is the SMILES notation for dipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate?
The canonical SMILES for dipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate is CCC1(c2ccccc2)C(=O)N=C([O-])N=C1[O-].[K+].[K+].
What is the InChIKey of dipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate?
The InChIKey is ZDEDEPOUNYEKNT-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H12N2O3.2K/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 dipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate?
dipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate has a molecular weight of 308.42 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 dipotassium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate is sourced from PubChem (CID 88791903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).