2-methanidyl-3-methylpyrimidin-4-one;yttrium

C6H7N2OY- — CID 58896611

IUPAC2-methanidyl-3-methylpyrimidin-4-one;yttrium
SMILES[CH2-]c1nccc(=O)n1C.[Y]
InChIInChI=1S/C6H7N2O.Y/c1-5-7-4-3-6(9)8(5)2;/h3-4H,1H2,2H3;/q-1;
InChIKeyHGQNDZLFFLKHQS-UHFFFAOYSA-N
MW212.04 g/mol
LogP-0.04
Rot. Bonds

About 2-methanidyl-3-methylpyrimidin-4-one;yttrium

2-methanidyl-3-methylpyrimidin-4-one;yttrium (PubChem CID 58896611) has the molecular formula C6H7N2OY- and a molecular weight of 212.04 g/mol. Its IUPAC name is 2-methanidyl-3-methylpyrimidin-4-one;yttrium.

Molecular Properties

Compound Name2-methanidyl-3-methylpyrimidin-4-one;yttrium
PubChem CID58896611
Molecular FormulaC6H7N2OY-
Molecular Weight212.04 g/mol
Exact Mass211.96
IUPAC Name2-methanidyl-3-methylpyrimidin-4-one;yttrium
SMILES[CH2-]c1nccc(=O)n1C.[Y]
InChIInChI=1S/C6H7N2O.Y/c1-5-7-4-3-6(9)8(5)2;/h3-4H,1H2,2H3;/q-1;
InChIKeyHGQNDZLFFLKHQS-UHFFFAOYSA-N
XLogP-0.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.04
LogP ≤ 5-0.04
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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Related Compounds

2-Methyl-1,4-dihydropyrimidin-4-one
CID 250451
3-methylpyrimidin-4(3H)-one
CID 301417
2,3-Dimethyl-4(3H)-pyrimidinone
CID 544933
2-(6-Oxo-1,6-dihydropyrimidin-1-yl)acetonitrile
CID 45087635
1-Ethyl-2-methyl-1,4-dihydropyrimidin-4-one
CID 130153255
6-Amino-2,3-dimethyl-4(3H)-pyrimidinone
CID 12778112
4h-Pyrimido[1,6-a]pyrimidin-4-one
CID 18919015
4H-Pyrazino(1,2-a)pyrimidin-4-one
CID 23635952
6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 53640157
3-Fluoro-2-methylpyrimidin-4-one
CID 153938210
3-Ethenyl-2-(fluoromethyl)pyrimidin-4-one
CID 159542129
3-Ethenyl-2-(trifluoromethyl)pyrimidin-4-one
CID 159918283

Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-3-methylpyrimidin-4-one;yttrium?
The IUPAC name of 2-methanidyl-3-methylpyrimidin-4-one;yttrium (CID 58896611) is 2-methanidyl-3-methylpyrimidin-4-one;yttrium.
What is the SMILES notation for 2-methanidyl-3-methylpyrimidin-4-one;yttrium?
The canonical SMILES for 2-methanidyl-3-methylpyrimidin-4-one;yttrium is [CH2-]c1nccc(=O)n1C.[Y].
What is the InChIKey of 2-methanidyl-3-methylpyrimidin-4-one;yttrium?
The InChIKey is HGQNDZLFFLKHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2O.Y/c1-5-7-4-3-6(9)8(5)2;/h3-4H,1H2,2H3;/q-1;.
What are the key properties of 2-methanidyl-3-methylpyrimidin-4-one;yttrium?
2-methanidyl-3-methylpyrimidin-4-one;yttrium has a molecular weight of 212.04 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-3-methylpyrimidin-4-one;yttrium is sourced from PubChem (CID 58896611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).