2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium

C8H6N2OY-2 — CID 58943841

IUPAC2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium
SMILES[H]/[C-]=C/C(=[C-]/O)c1ncccn1.[Y]
InChIInChI=1S/C8H6N2O.Y/c1-2-7(6-11)8-9-4-3-5-10-8;/h1-5,11H;/q-2;
InChIKeyBYPDNYGSTYNLBM-UHFFFAOYSA-N
MW235.06 g/mol
LogP1.17
Rot. Bonds2

About 2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium

2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium (PubChem CID 58943841) has the molecular formula C8H6N2OY-2 and a molecular weight of 235.06 g/mol. Its IUPAC name is 2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium.

Molecular Properties

Compound Name2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium
PubChem CID58943841
Molecular FormulaC8H6N2OY-2
Molecular Weight235.06 g/mol
Exact Mass234.95
IUPAC Name2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium
SMILES[H]/[C-]=C/C(=[C-]/O)c1ncccn1.[Y]
InChIInChI=1S/C8H6N2O.Y/c1-2-7(6-11)8-9-4-3-5-10-8;/h1-5,11H;/q-2;
InChIKeyBYPDNYGSTYNLBM-UHFFFAOYSA-N
XLogP1.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium?
The IUPAC name of 2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium (CID 58943841) is 2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium.
What is the SMILES notation for 2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium?
The canonical SMILES for 2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium is [H]/[C-]=C/C(=[C-]/O)c1ncccn1.[Y].
What is the InChIKey of 2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium?
The InChIKey is BYPDNYGSTYNLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.Y/c1-2-7(6-11)8-9-4-3-5-10-8;/h1-5,11H;/q-2;.
What are the key properties of 2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium?
2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium has a molecular weight of 235.06 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylbuta-1,3-dien-1-ol;yttrium is sourced from PubChem (CID 58943841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).