2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+)

C6H7N2Y+2 — CID 20675884

IUPAC2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+)
SMILESCc1c[c-]nc(C)n1.[Y+3]
InChIInChI=1S/C6H7N2.Y/c1-5-3-4-7-6(2)8-5;/h3H,1-2H3;/q-1;+3
InChIKeyCQPQYOPGJDUXLC-UHFFFAOYSA-N
MW196.04 g/mol
LogP0.89
Rot. Bonds

About 2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+)

2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+) (PubChem CID 20675884) has the molecular formula C6H7N2Y+2 and a molecular weight of 196.04 g/mol. Its IUPAC name is 2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+).

Molecular Properties

Compound Name2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+)
PubChem CID20675884
Molecular FormulaC6H7N2Y+2
Molecular Weight196.04 g/mol
Exact Mass195.97
IUPAC Name2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+)
SMILESCc1c[c-]nc(C)n1.[Y+3]
InChIInChI=1S/C6H7N2.Y/c1-5-3-4-7-6(2)8-5;/h3H,1-2H3;/q-1;+3
InChIKeyCQPQYOPGJDUXLC-UHFFFAOYSA-N
XLogP0.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.04
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+) 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 2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+)?
The IUPAC name of 2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+) (CID 20675884) is 2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+).
What is the SMILES notation for 2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+)?
The canonical SMILES for 2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+) is Cc1c[c-]nc(C)n1.[Y+3].
What is the InChIKey of 2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+)?
The InChIKey is CQPQYOPGJDUXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2.Y/c1-5-3-4-7-6(2)8-5;/h3H,1-2H3;/q-1;+3.
What are the key properties of 2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+)?
2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+) has a molecular weight of 196.04 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4H-pyrimidin-4-ide;yttrium(3+) is sourced from PubChem (CID 20675884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).