4-methyl-2H-pyrimidin-2-ide;yttrium

C5H5N2Y- — CID 58697581

IUPAC4-methyl-2H-pyrimidin-2-ide;yttrium
SMILESCc1ccn[c-]n1.[Y]
InChIInChI=1S/C5H5N2.Y/c1-5-2-3-6-4-7-5;/h2-3H,1H3;/q-1;
InChIKeyKOXQUHHGWWGMFJ-UHFFFAOYSA-N
MW182.02 g/mol
LogP0.58
Rot. Bonds

About 4-methyl-2H-pyrimidin-2-ide;yttrium

4-methyl-2H-pyrimidin-2-ide;yttrium (PubChem CID 58697581) has the molecular formula C5H5N2Y- and a molecular weight of 182.02 g/mol. Its IUPAC name is 4-methyl-2H-pyrimidin-2-ide;yttrium.

Molecular Properties

Compound Name4-methyl-2H-pyrimidin-2-ide;yttrium
PubChem CID58697581
Molecular FormulaC5H5N2Y-
Molecular Weight182.02 g/mol
Exact Mass181.95
IUPAC Name4-methyl-2H-pyrimidin-2-ide;yttrium
SMILESCc1ccn[c-]n1.[Y]
InChIInChI=1S/C5H5N2.Y/c1-5-2-3-6-4-7-5;/h2-3H,1H3;/q-1;
InChIKeyKOXQUHHGWWGMFJ-UHFFFAOYSA-N
XLogP0.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.02
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-methyl-2H-pyrimidin-2-ide;yttrium?
The IUPAC name of 4-methyl-2H-pyrimidin-2-ide;yttrium (CID 58697581) is 4-methyl-2H-pyrimidin-2-ide;yttrium.
What is the SMILES notation for 4-methyl-2H-pyrimidin-2-ide;yttrium?
The canonical SMILES for 4-methyl-2H-pyrimidin-2-ide;yttrium is Cc1ccn[c-]n1.[Y].
What is the InChIKey of 4-methyl-2H-pyrimidin-2-ide;yttrium?
The InChIKey is KOXQUHHGWWGMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2.Y/c1-5-2-3-6-4-7-5;/h2-3H,1H3;/q-1;.
What are the key properties of 4-methyl-2H-pyrimidin-2-ide;yttrium?
4-methyl-2H-pyrimidin-2-ide;yttrium has a molecular weight of 182.02 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-pyrimidin-2-ide;yttrium is sourced from PubChem (CID 58697581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).