5-(2-phenylphenoxy)-1H-pyrimidin-6-one

C16H12N2O2 — CID 134086611

IUPAC5-(2-phenylphenoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-16-15(10-17-11-18-16)20-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,17,18,19)
InChIKeyCVYBSKIRKHMKIZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.23
Rot. Bonds3

About 5-(2-phenylphenoxy)-1H-pyrimidin-6-one

5-(2-phenylphenoxy)-1H-pyrimidin-6-one (PubChem CID 134086611) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-(2-phenylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-phenylphenoxy)-1H-pyrimidin-6-one
PubChem CID134086611
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name5-(2-phenylphenoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-16-15(10-17-11-18-16)20-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,17,18,19)
InChIKeyCVYBSKIRKHMKIZ-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

Analyze 5-(2-phenylphenoxy)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-phenylphenoxy)-1H-pyrimidin-6-one (CID 134086611) is 5-(2-phenylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-phenylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-phenylphenoxy)-1H-pyrimidin-6-one is O=c1[nH]cncc1Oc1ccccc1-c1ccccc1.
What is the InChIKey of 5-(2-phenylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is CVYBSKIRKHMKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16-15(10-17-11-18-16)20-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,17,18,19).
What are the key properties of 5-(2-phenylphenoxy)-1H-pyrimidin-6-one?
5-(2-phenylphenoxy)-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 5-(2-phenylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 134086611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).