6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium

C4H5N3OPdS — CID 54601608

IUPAC6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium
SMILESNc1cc(=O)[nH]c(=S)[nH]1.[Pd]
InChIInChI=1S/C4H5N3OS.Pd/c5-2-1-3(8)7-4(9)6-2;/h1H,(H4,5,6,7,8,9);
InChIKeyATZARISTDCORPL-UHFFFAOYSA-N
MW249.59 g/mol
LogP0.01
Rot. Bonds

About 6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium

6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium (PubChem CID 54601608) has the molecular formula C4H5N3OPdS and a molecular weight of 249.59 g/mol. Its IUPAC name is 6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium.

Molecular Properties

Compound Name6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium
PubChem CID54601608
Molecular FormulaC4H5N3OPdS
Molecular Weight249.59 g/mol
Exact Mass248.92
IUPAC Name6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium
SMILESNc1cc(=O)[nH]c(=S)[nH]1.[Pd]
InChIInChI=1S/C4H5N3OS.Pd/c5-2-1-3(8)7-4(9)6-2;/h1H,(H4,5,6,7,8,9);
InChIKeyATZARISTDCORPL-UHFFFAOYSA-N
XLogP0.01
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.59
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium?
The IUPAC name of 6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium (CID 54601608) is 6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium.
What is the SMILES notation for 6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium?
The canonical SMILES for 6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium is Nc1cc(=O)[nH]c(=S)[nH]1.[Pd].
What is the InChIKey of 6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium?
The InChIKey is ATZARISTDCORPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS.Pd/c5-2-1-3(8)7-4(9)6-2;/h1H,(H4,5,6,7,8,9);.
What are the key properties of 6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium?
6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium has a molecular weight of 249.59 g/mol, XLogP of 0.01, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium is sourced from PubChem (CID 54601608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).