4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium

C10H13N2Y- — CID 171556695

IUPAC4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium
SMILESC=Cc1cn[c-]nc1C=C.CC.[Y]
InChIInChI=1S/C8H7N2.C2H6.Y/c1-3-7-5-9-6-10-8(7)4-2;1-2;/h3-5H,1-2H2;1-2H3;/q-1;;
InChIKeyCOEBQUBSMMVTDL-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.59
Rot. Bonds2

About 4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium

4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium (PubChem CID 171556695) has the molecular formula C10H13N2Y- and a molecular weight of 250.13 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium
PubChem CID171556695
Molecular FormulaC10H13N2Y-
Molecular Weight250.13 g/mol
Exact Mass250.01
IUPAC Name4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium
SMILESC=Cc1cn[c-]nc1C=C.CC.[Y]
InChIInChI=1S/C8H7N2.C2H6.Y/c1-3-7-5-9-6-10-8(7)4-2;1-2;/h3-5H,1-2H2;1-2H3;/q-1;;
InChIKeyCOEBQUBSMMVTDL-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 52.59
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 4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium?
The IUPAC name of 4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium (CID 171556695) is 4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium.
What is the SMILES notation for 4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium?
The canonical SMILES for 4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium is C=Cc1cn[c-]nc1C=C.CC.[Y].
What is the InChIKey of 4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium?
The InChIKey is COEBQUBSMMVTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2.C2H6.Y/c1-3-7-5-9-6-10-8(7)4-2;1-2;/h3-5H,1-2H2;1-2H3;/q-1;;.
What are the key properties of 4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium?
4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium has a molecular weight of 250.13 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium is sourced from PubChem (CID 171556695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).