5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium

C8H11N2O2Y- — CID 59853470

IUPAC5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium
SMILESCCc1[n-]c(=O)[nH]c(=O)c1CC.[Y]
InChIInChI=1S/C8H12N2O2.Y/c1-3-5-6(4-2)9-8(12)10-7(5)11;/h3-4H2,1-2H3,(H2,9,10,11,12);/p-1
InChIKeyONKZDDMDMWVASV-UHFFFAOYSA-M
MW256.09 g/mol
LogP-0.19
Rot. Bonds2

About 5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium

5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium (PubChem CID 59853470) has the molecular formula C8H11N2O2Y- and a molecular weight of 256.09 g/mol. Its IUPAC name is 5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium.

Molecular Properties

Compound Name5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium
PubChem CID59853470
Molecular FormulaC8H11N2O2Y-
Molecular Weight256.09 g/mol
Exact Mass255.99
IUPAC Name5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium
SMILESCCc1[n-]c(=O)[nH]c(=O)c1CC.[Y]
InChIInChI=1S/C8H12N2O2.Y/c1-3-5-6(4-2)9-8(12)10-7(5)11;/h3-4H2,1-2H3,(H2,9,10,11,12);/p-1
InChIKeyONKZDDMDMWVASV-UHFFFAOYSA-M
XLogP-0.19
TPSA64.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium?
The IUPAC name of 5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium (CID 59853470) is 5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium.
What is the SMILES notation for 5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium?
The canonical SMILES for 5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium is CCc1[n-]c(=O)[nH]c(=O)c1CC.[Y].
What is the InChIKey of 5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium?
The InChIKey is ONKZDDMDMWVASV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12N2O2.Y/c1-3-5-6(4-2)9-8(12)10-7(5)11;/h3-4H2,1-2H3,(H2,9,10,11,12);/p-1.
What are the key properties of 5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium?
5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium has a molecular weight of 256.09 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethylpyrimidin-1-ide-2,4-dione;yttrium is sourced from PubChem (CID 59853470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).