6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one

C20H18N2O3 — CID 30463209

IUPAC6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)c3ccccc3)cn2)cc1
InChIInChI=1S/C20H18N2O3/c1-2-25-17-10-8-15(9-11-17)18-12-20(24)22(14-21-18)13-19(23)16-6-4-3-5-7-16/h3-12,14H,2,13H2,1H3
InChIKeyVAHFZXRDDMOXOC-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.19
Rot. Bonds6

About 6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one

6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one (PubChem CID 30463209) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one
PubChem CID30463209
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)c3ccccc3)cn2)cc1
InChIInChI=1S/C20H18N2O3/c1-2-25-17-10-8-15(9-11-17)18-12-20(24)22(14-21-18)13-19(23)16-6-4-3-5-7-16/h3-12,14H,2,13H2,1H3
InChIKeyVAHFZXRDDMOXOC-UHFFFAOYSA-N
XLogP3.19
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one?
The IUPAC name of 6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one (CID 30463209) is 6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one.
What is the SMILES notation for 6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one?
The canonical SMILES for 6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one is CCOc1ccc(-c2cc(=O)n(CC(=O)c3ccccc3)cn2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one?
The InChIKey is VAHFZXRDDMOXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-25-17-10-8-15(9-11-17)18-12-20(24)22(14-21-18)13-19(23)16-6-4-3-5-7-16/h3-12,14H,2,13H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one?
6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one has a molecular weight of 334.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-3-phenacylpyrimidin-4-one is sourced from PubChem (CID 30463209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).