acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium

C6H9N3O4Pd — CID 90424754

IUPACacetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium
SMILESCC(=O)O.Nc1nc(O)cc(=O)[nH]1.[Pd]
InChIInChI=1S/C4H5N3O2.C2H4O2.Pd/c5-4-6-2(8)1-3(9)7-4;1-2(3)4;/h1H,(H4,5,6,7,8,9);1H3,(H,3,4);
InChIKeyZYFIYAXNSRUJGH-UHFFFAOYSA-N
MW293.58 g/mol
LogP-0.85
Rot. Bonds

About acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium

acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium (PubChem CID 90424754) has the molecular formula C6H9N3O4Pd and a molecular weight of 293.58 g/mol. Its IUPAC name is acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium.

Molecular Properties

Compound Nameacetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium
PubChem CID90424754
Molecular FormulaC6H9N3O4Pd
Molecular Weight293.58 g/mol
Exact Mass292.96
IUPAC Nameacetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium
SMILESCC(=O)O.Nc1nc(O)cc(=O)[nH]1.[Pd]
InChIInChI=1S/C4H5N3O2.C2H4O2.Pd/c5-4-6-2(8)1-3(9)7-4;1-2(3)4;/h1H,(H4,5,6,7,8,9);1H3,(H,3,4);
InChIKeyZYFIYAXNSRUJGH-UHFFFAOYSA-N
XLogP-0.85
TPSA129.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.58
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium?
The IUPAC name of acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium (CID 90424754) is acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium.
What is the SMILES notation for acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium?
The canonical SMILES for acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium is CC(=O)O.Nc1nc(O)cc(=O)[nH]1.[Pd].
What is the InChIKey of acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium?
The InChIKey is ZYFIYAXNSRUJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2.C2H4O2.Pd/c5-4-6-2(8)1-3(9)7-4;1-2(3)4;/h1H,(H4,5,6,7,8,9);1H3,(H,3,4);.
What are the key properties of acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium?
acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium has a molecular weight of 293.58 g/mol, XLogP of -0.85, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-amino-4-hydroxy-1H-pyrimidin-6-one;palladium is sourced from PubChem (CID 90424754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).