1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium

C8H9N2OY- — CID 58291662

IUPAC1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium
SMILESCC(=O)c1nc(C)[c-]c(C)n1.[Y]
InChIInChI=1S/C8H9N2O.Y/c1-5-4-6(2)10-8(9-5)7(3)11;/h1-3H3;/q-1;
InChIKeyLZLDPLZDCVBYEI-UHFFFAOYSA-N
MW238.08 g/mol
LogP1.09
Rot. Bonds1

About 1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium

1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium (PubChem CID 58291662) has the molecular formula C8H9N2OY- and a molecular weight of 238.08 g/mol. Its IUPAC name is 1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium.

Molecular Properties

Compound Name1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium
PubChem CID58291662
Molecular FormulaC8H9N2OY-
Molecular Weight238.08 g/mol
Exact Mass237.98
IUPAC Name1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium
SMILESCC(=O)c1nc(C)[c-]c(C)n1.[Y]
InChIInChI=1S/C8H9N2O.Y/c1-5-4-6(2)10-8(9-5)7(3)11;/h1-3H3;/q-1;
InChIKeyLZLDPLZDCVBYEI-UHFFFAOYSA-N
XLogP1.09
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium?
The IUPAC name of 1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium (CID 58291662) is 1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium.
What is the SMILES notation for 1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium?
The canonical SMILES for 1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium is CC(=O)c1nc(C)[c-]c(C)n1.[Y].
What is the InChIKey of 1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium?
The InChIKey is LZLDPLZDCVBYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2O.Y/c1-5-4-6(2)10-8(9-5)7(3)11;/h1-3H3;/q-1;.
What are the key properties of 1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium?
1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium has a molecular weight of 238.08 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium is sourced from PubChem (CID 58291662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).