bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine

C26H30N6O6Pt — CID 139165925

IUPACbis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine
SMILESCCC1(CC)C(=O)[N-]C(=O)NC1=O.CCC1(CC)C(=O)[N-]C(=O)NC1=O.[Pt+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C8H12N2O3.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h1-8H;2*3-4H2,1-2H3,(H2,9,10,11,12,13);/q;;;+2/p-2
InChIKeyCWHWSDXUKMDRFR-UHFFFAOYSA-L
MW717.64 g/mol
LogP4.03
Rot. Bonds5

About bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine

bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine (PubChem CID 139165925) has the molecular formula C26H30N6O6Pt and a molecular weight of 717.64 g/mol. Its IUPAC name is bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namebis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine
PubChem CID139165925
Molecular FormulaC26H30N6O6Pt
Molecular Weight717.64 g/mol
Exact Mass717.19
IUPAC Namebis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine
SMILESCCC1(CC)C(=O)[N-]C(=O)NC1=O.CCC1(CC)C(=O)[N-]C(=O)NC1=O.[Pt+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C8H12N2O3.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h1-8H;2*3-4H2,1-2H3,(H2,9,10,11,12,13);/q;;;+2/p-2
InChIKeyCWHWSDXUKMDRFR-UHFFFAOYSA-L
XLogP4.03
TPSA180.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500717.64
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine?
The IUPAC name of bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine (CID 139165925) is bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine.
What is the SMILES notation for bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine?
The canonical SMILES for bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine is CCC1(CC)C(=O)[N-]C(=O)NC1=O.CCC1(CC)C(=O)[N-]C(=O)NC1=O.[Pt+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine?
The InChIKey is CWHWSDXUKMDRFR-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2.2C8H12N2O3.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h1-8H;2*3-4H2,1-2H3,(H2,9,10,11,12,13);/q;;;+2/p-2.
What are the key properties of bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine?
bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine has a molecular weight of 717.64 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,5-diethylpyrimidin-3-ide-2,4,6-trione);platinum(2+);2-pyridin-2-ylpyridine is sourced from PubChem (CID 139165925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).