3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one

C15H13N3O2 — CID 69419606

IUPAC3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one
SMILESO=C1NCC=CN1c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C15H13N3O2/c19-14-4-1-2-10-17(14)12-5-7-13(8-6-12)18-11-3-9-16-15(18)20/h1-8,10-11H,9H2,(H,16,20)
InChIKeyDLJZRFJXIGJDFE-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.88
Rot. Bonds2

About 3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one

3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one (PubChem CID 69419606) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one
PubChem CID69419606
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one
SMILESO=C1NCC=CN1c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C15H13N3O2/c19-14-4-1-2-10-17(14)12-5-7-13(8-6-12)18-11-3-9-16-15(18)20/h1-8,10-11H,9H2,(H,16,20)
InChIKeyDLJZRFJXIGJDFE-UHFFFAOYSA-N
XLogP1.88
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one?
The IUPAC name of 3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one (CID 69419606) is 3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one is O=C1NCC=CN1c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one?
The InChIKey is DLJZRFJXIGJDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14-4-1-2-10-17(14)12-5-7-13(8-6-12)18-11-3-9-16-15(18)20/h1-8,10-11H,9H2,(H,16,20).
What are the key properties of 3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one?
3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one has a molecular weight of 267.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-oxo-1-pyridinyl)phenyl]-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 69419606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).