[6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium)

C6H2N2O2Y2-2 — CID 58784383

IUPAC[6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium)
SMILESO=[C-]c1cc([C-]=O)ncn1.[Y].[Y]
InChIInChI=1S/C6H2N2O2.2Y/c9-2-5-1-6(3-10)8-4-7-5;;/h1,4H;;/q-2;;
InChIKeyPKGVSCCSQRNNAL-UHFFFAOYSA-N
MW311.91 g/mol
LogP-0.61
Rot. Bonds2

About [6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium)

[6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium) (PubChem CID 58784383) has the molecular formula C6H2N2O2Y2-2 and a molecular weight of 311.91 g/mol. Its IUPAC name is [6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium).

Molecular Properties

Compound Name[6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium)
PubChem CID58784383
Molecular FormulaC6H2N2O2Y2-2
Molecular Weight311.91 g/mol
Exact Mass311.82
IUPAC Name[6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium)
SMILESO=[C-]c1cc([C-]=O)ncn1.[Y].[Y]
InChIInChI=1S/C6H2N2O2.2Y/c9-2-5-1-6(3-10)8-4-7-5;;/h1,4H;;/q-2;;
InChIKeyPKGVSCCSQRNNAL-UHFFFAOYSA-N
XLogP-0.61
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.91
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium)?
The IUPAC name of [6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium) (CID 58784383) is [6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium).
What is the SMILES notation for [6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium)?
The canonical SMILES for [6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium) is O=[C-]c1cc([C-]=O)ncn1.[Y].[Y].
What is the InChIKey of [6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium)?
The InChIKey is PKGVSCCSQRNNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2N2O2.2Y/c9-2-5-1-6(3-10)8-4-7-5;;/h1,4H;;/q-2;;.
What are the key properties of [6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium)?
[6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium) has a molecular weight of 311.91 g/mol, XLogP of -0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium) is sourced from PubChem (CID 58784383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).