2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one

C15H11N3O — CID 135512471

IUPAC2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C15H11N3O/c19-14-10-13(11-6-8-16-9-7-11)17-15(18-14)12-4-2-1-3-5-12/h1-10H,(H,17,18,19)
InChIKeyUIJHSJQYJWTJQQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.50
Rot. Bonds2

About 2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one

2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135512471) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135512471
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C15H11N3O/c19-14-10-13(11-6-8-16-9-7-11)17-15(18-14)12-4-2-1-3-5-12/h1-10H,(H,17,18,19)
InChIKeyUIJHSJQYJWTJQQ-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135512471) is 2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one is O=c1cc(-c2ccncc2)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is UIJHSJQYJWTJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-14-10-13(11-6-8-16-9-7-11)17-15(18-14)12-4-2-1-3-5-12/h1-10H,(H,17,18,19).
What are the key properties of 2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 249.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135512471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).