4-(4-pyridin-2-ylpyrimidin-2-yl)phenol

C15H11N3O — CID 2767798

IUPAC4-(4-pyridin-2-ylpyrimidin-2-yl)phenol
SMILESOc1ccc(-c2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C15H11N3O/c19-12-6-4-11(5-7-12)15-17-10-8-14(18-15)13-3-1-2-9-16-13/h1-10,19H
InChIKeyYLNSYKWQBPIKTR-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.91
Rot. Bonds2

About 4-(4-pyridin-2-ylpyrimidin-2-yl)phenol

4-(4-pyridin-2-ylpyrimidin-2-yl)phenol (PubChem CID 2767798) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(4-pyridin-2-ylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name4-(4-pyridin-2-ylpyrimidin-2-yl)phenol
PubChem CID2767798
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name4-(4-pyridin-2-ylpyrimidin-2-yl)phenol
SMILESOc1ccc(-c2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C15H11N3O/c19-12-6-4-11(5-7-12)15-17-10-8-14(18-15)13-3-1-2-9-16-13/h1-10,19H
InChIKeyYLNSYKWQBPIKTR-UHFFFAOYSA-N
XLogP2.91
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-2-ylpyrimidin-2-yl)phenol?
The IUPAC name of 4-(4-pyridin-2-ylpyrimidin-2-yl)phenol (CID 2767798) is 4-(4-pyridin-2-ylpyrimidin-2-yl)phenol.
What is the SMILES notation for 4-(4-pyridin-2-ylpyrimidin-2-yl)phenol?
The canonical SMILES for 4-(4-pyridin-2-ylpyrimidin-2-yl)phenol is Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(4-pyridin-2-ylpyrimidin-2-yl)phenol?
The InChIKey is YLNSYKWQBPIKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-12-6-4-11(5-7-12)15-17-10-8-14(18-15)13-3-1-2-9-16-13/h1-10,19H.
What are the key properties of 4-(4-pyridin-2-ylpyrimidin-2-yl)phenol?
4-(4-pyridin-2-ylpyrimidin-2-yl)phenol has a molecular weight of 249.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-2-ylpyrimidin-2-yl)phenol is sourced from PubChem (CID 2767798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).