2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one

C19H16N2O2 — CID 135437680

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C19H16N2O2/c1-23-16-10-7-14(8-11-16)9-12-18-20-17(13-19(22)21-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,20,21,22)/b12-9+
InChIKeyIFKRIEGMEQAODE-FMIVXFBMSA-N
MW304.35 g/mol
LogP3.62
Rot. Bonds4

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one

2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135437680) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID135437680
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C19H16N2O2/c1-23-16-10-7-14(8-11-16)9-12-18-20-17(13-19(22)21-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,20,21,22)/b12-9+
InChIKeyIFKRIEGMEQAODE-FMIVXFBMSA-N
XLogP3.62
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one (CID 135437680) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one is COc1ccc(/C=C/c2nc(-c3ccccc3)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is IFKRIEGMEQAODE-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-23-16-10-7-14(8-11-16)9-12-18-20-17(13-19(22)21-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,20,21,22)/b12-9+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 304.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135437680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).