5-methyl-4H-pyrimidin-4-ide;yttrium(3+)

C5H5N2Y+2 — CID 23392087

IUPAC5-methyl-4H-pyrimidin-4-ide;yttrium(3+)
SMILESCc1[c-]ncnc1.[Y+3]
InChIInChI=1S/C5H5N2.Y/c1-5-2-6-4-7-3-5;/h2,4H,1H3;/q-1;+3
InChIKeyOZHMEVDVWIUFLF-UHFFFAOYSA-N
MW182.02 g/mol
LogP0.58
Rot. Bonds

About 5-methyl-4H-pyrimidin-4-ide;yttrium(3+)

5-methyl-4H-pyrimidin-4-ide;yttrium(3+) (PubChem CID 23392087) has the molecular formula C5H5N2Y+2 and a molecular weight of 182.02 g/mol. Its IUPAC name is 5-methyl-4H-pyrimidin-4-ide;yttrium(3+).

Molecular Properties

Compound Name5-methyl-4H-pyrimidin-4-ide;yttrium(3+)
PubChem CID23392087
Molecular FormulaC5H5N2Y+2
Molecular Weight182.02 g/mol
Exact Mass181.95
IUPAC Name5-methyl-4H-pyrimidin-4-ide;yttrium(3+)
SMILESCc1[c-]ncnc1.[Y+3]
InChIInChI=1S/C5H5N2.Y/c1-5-2-6-4-7-3-5;/h2,4H,1H3;/q-1;+3
InChIKeyOZHMEVDVWIUFLF-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 5-methyl-4H-pyrimidin-4-ide;yttrium(3+)?
The IUPAC name of 5-methyl-4H-pyrimidin-4-ide;yttrium(3+) (CID 23392087) is 5-methyl-4H-pyrimidin-4-ide;yttrium(3+).
What is the SMILES notation for 5-methyl-4H-pyrimidin-4-ide;yttrium(3+)?
The canonical SMILES for 5-methyl-4H-pyrimidin-4-ide;yttrium(3+) is Cc1[c-]ncnc1.[Y+3].
What is the InChIKey of 5-methyl-4H-pyrimidin-4-ide;yttrium(3+)?
The InChIKey is OZHMEVDVWIUFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2.Y/c1-5-2-6-4-7-3-5;/h2,4H,1H3;/q-1;+3.
What are the key properties of 5-methyl-4H-pyrimidin-4-ide;yttrium(3+)?
5-methyl-4H-pyrimidin-4-ide;yttrium(3+) 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 5-methyl-4H-pyrimidin-4-ide;yttrium(3+) is sourced from PubChem (CID 23392087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).