4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+)

C6H7N2Y+2 — CID 20686961

IUPAC4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+)
SMILESCc1cn[c-]nc1C.[Y+3]
InChIInChI=1S/C6H7N2.Y/c1-5-3-7-4-8-6(5)2;/h3H,1-2H3;/q-1;+3
InChIKeyPBOPTGUIZTWCHV-UHFFFAOYSA-N
MW196.04 g/mol
LogP0.89
Rot. Bonds

About 4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+)

4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+) (PubChem CID 20686961) has the molecular formula C6H7N2Y+2 and a molecular weight of 196.04 g/mol. Its IUPAC name is 4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+).

Molecular Properties

Compound Name4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+)
PubChem CID20686961
Molecular FormulaC6H7N2Y+2
Molecular Weight196.04 g/mol
Exact Mass195.97
IUPAC Name4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+)
SMILESCc1cn[c-]nc1C.[Y+3]
InChIInChI=1S/C6H7N2.Y/c1-5-3-7-4-8-6(5)2;/h3H,1-2H3;/q-1;+3
InChIKeyPBOPTGUIZTWCHV-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'}

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Related Compounds

5,6-Dimethyl-2,4-dihydropyrimidine-2,4-diide;bis(yttrium)
CID 57531787
5,6-Dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium)
CID 58120789
2,4-dimethyl-6-tritio-5H-pyrimidin-5-ide;yttrium
CID 58291697
4-methyl-5H-pyrimidin-5-ide;yttrium
CID 59098006
2,5-dimethyl-4H-pyrimidin-4-ide;yttrium
CID 59098041
2,4-dimethyl-5H-pyrimidin-5-ide;yttrium
CID 59098049
4,5-dimethyl-2H-pyrimidin-2-ide;yttrium
CID 59968340
5-ethyl-2H-pyrimidin-2-ide;yttrium
CID 59968683
5-ethyl-4-methyl-2H-pyrimidin-2-ide;yttrium
CID 59999331
5-ethyl-4H-pyrimidin-4-ide;vanadium
CID 60030461
5-Methyl-2,4-dihydropyrimidine-2,4-diide;tris(yttrium)
CID 60087207
5-Ethyl-2,4-dihydropyrimidine-2,4-diide;tris(yttrium)
CID 60087208

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+)?
The IUPAC name of 4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+) (CID 20686961) is 4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+).
What is the SMILES notation for 4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+)?
The canonical SMILES for 4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+) is Cc1cn[c-]nc1C.[Y+3].
What is the InChIKey of 4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+)?
The InChIKey is PBOPTGUIZTWCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2.Y/c1-5-3-7-4-8-6(5)2;/h3H,1-2H3;/q-1;+3.
What are the key properties of 4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+)?
4,5-dimethyl-2H-pyrimidin-2-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 4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+) is sourced from PubChem (CID 20686961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).