1-oxidopyrimidin-1-ium;palladium

C4H4N2OPd — CID 175507401

IUPAC1-oxidopyrimidin-1-ium;palladium
SMILES[O-][n+]1cccnc1.[Pd]
InChIInChI=1S/C4H4N2O.Pd/c7-6-3-1-2-5-4-6;/h1-4H;
InChIKeyDDEIBOQTKRTNSW-UHFFFAOYSA-N
MW202.51 g/mol
LogP-0.29
Rot. Bonds

About 1-oxidopyrimidin-1-ium;palladium

1-oxidopyrimidin-1-ium;palladium (PubChem CID 175507401) has the molecular formula C4H4N2OPd and a molecular weight of 202.51 g/mol. Its IUPAC name is 1-oxidopyrimidin-1-ium;palladium.

Molecular Properties

Compound Name1-oxidopyrimidin-1-ium;palladium
PubChem CID175507401
Molecular FormulaC4H4N2OPd
Molecular Weight202.51 g/mol
Exact Mass201.94
IUPAC Name1-oxidopyrimidin-1-ium;palladium
SMILES[O-][n+]1cccnc1.[Pd]
InChIInChI=1S/C4H4N2O.Pd/c7-6-3-1-2-5-4-6;/h1-4H;
InChIKeyDDEIBOQTKRTNSW-UHFFFAOYSA-N
XLogP-0.29
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.51
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopyrimidin-1-ium;palladium?
The IUPAC name of 1-oxidopyrimidin-1-ium;palladium (CID 175507401) is 1-oxidopyrimidin-1-ium;palladium.
What is the SMILES notation for 1-oxidopyrimidin-1-ium;palladium?
The canonical SMILES for 1-oxidopyrimidin-1-ium;palladium is [O-][n+]1cccnc1.[Pd].
What is the InChIKey of 1-oxidopyrimidin-1-ium;palladium?
The InChIKey is DDEIBOQTKRTNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.Pd/c7-6-3-1-2-5-4-6;/h1-4H;.
What are the key properties of 1-oxidopyrimidin-1-ium;palladium?
1-oxidopyrimidin-1-ium;palladium has a molecular weight of 202.51 g/mol, XLogP of -0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyrimidin-1-ium;palladium is sourced from PubChem (CID 175507401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).