[2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium

C11H15N4O3Y- — CID 59960035

IUPAC[2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium
SMILESCC(=O)Nc1cnc(C)n(C(C)(C)C([NH-])=O)c1=O.[Y]
InChIInChI=1S/C11H16N4O3.Y/c1-6-13-5-8(14-7(2)16)9(17)15(6)11(3,4)10(12)18;/h5H,1-4H3,(H3,12,14,16,18);/p-1
InChIKeyKNRKNWHGMLJFRA-UHFFFAOYSA-M
MW340.17 g/mol
LogP0.82
Rot. Bonds3

About [2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium

[2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium (PubChem CID 59960035) has the molecular formula C11H15N4O3Y- and a molecular weight of 340.17 g/mol. Its IUPAC name is [2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium.

Molecular Properties

Compound Name[2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium
PubChem CID59960035
Molecular FormulaC11H15N4O3Y-
Molecular Weight340.17 g/mol
Exact Mass340.02
IUPAC Name[2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium
SMILESCC(=O)Nc1cnc(C)n(C(C)(C)C([NH-])=O)c1=O.[Y]
InChIInChI=1S/C11H16N4O3.Y/c1-6-13-5-8(14-7(2)16)9(17)15(6)11(3,4)10(12)18;/h5H,1-4H3,(H3,12,14,16,18);/p-1
InChIKeyKNRKNWHGMLJFRA-UHFFFAOYSA-M
XLogP0.82
TPSA104.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium?
The IUPAC name of [2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium (CID 59960035) is [2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium.
What is the SMILES notation for [2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium?
The canonical SMILES for [2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium is CC(=O)Nc1cnc(C)n(C(C)(C)C([NH-])=O)c1=O.[Y].
What is the InChIKey of [2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium?
The InChIKey is KNRKNWHGMLJFRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N4O3.Y/c1-6-13-5-8(14-7(2)16)9(17)15(6)11(3,4)10(12)18;/h5H,1-4H3,(H3,12,14,16,18);/p-1.
What are the key properties of [2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium?
[2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium has a molecular weight of 340.17 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-acetamido-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanoyl]azanide;yttrium is sourced from PubChem (CID 59960035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).