4-phenoxy-2-phenyl-1H-pyrimidin-6-one

C16H12N2O2 — CID 13185841

IUPAC4-phenoxy-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccccc2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H12N2O2/c19-14-11-15(20-13-9-5-2-6-10-13)18-16(17-14)12-7-3-1-4-8-12/h1-11H,(H,17,18,19)
InChIKeyLVLHBDPLBAMBRG-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.23
Rot. Bonds3

About 4-phenoxy-2-phenyl-1H-pyrimidin-6-one

4-phenoxy-2-phenyl-1H-pyrimidin-6-one (PubChem CID 13185841) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-phenoxy-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-phenoxy-2-phenyl-1H-pyrimidin-6-one
PubChem CID13185841
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-phenoxy-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccccc2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H12N2O2/c19-14-11-15(20-13-9-5-2-6-10-13)18-16(17-14)12-7-3-1-4-8-12/h1-11H,(H,17,18,19)
InChIKeyLVLHBDPLBAMBRG-UHFFFAOYSA-N
XLogP3.23
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-phenoxy-2-phenyl-1H-pyrimidin-6-one (CID 13185841) is 4-phenoxy-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-phenoxy-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-phenoxy-2-phenyl-1H-pyrimidin-6-one is O=c1cc(Oc2ccccc2)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-phenoxy-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is LVLHBDPLBAMBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-14-11-15(20-13-9-5-2-6-10-13)18-16(17-14)12-7-3-1-4-8-12/h1-11H,(H,17,18,19).
What are the key properties of 4-phenoxy-2-phenyl-1H-pyrimidin-6-one?
4-phenoxy-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 264.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 13185841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).