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

C18H14N2O — CID 22929240

IUPAC4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(/C=C/c2ccccc2)[nH]1
InChIInChI=1S/C18H14N2O/c21-18-19-16(12-11-14-7-3-1-4-8-14)13-17(20-18)15-9-5-2-6-10-15/h1-13H,(H,19,20,21)/b12-11+
InChIKeyISGWRRVSPMOMIR-VAWYXSNFSA-N
MW274.32 g/mol
LogP3.61
Rot. Bonds3

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

4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one (PubChem CID 22929240) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one
PubChem CID22929240
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(/C=C/c2ccccc2)[nH]1
InChIInChI=1S/C18H14N2O/c21-18-19-16(12-11-14-7-3-1-4-8-14)13-17(20-18)15-9-5-2-6-10-15/h1-13H,(H,19,20,21)/b12-11+
InChIKeyISGWRRVSPMOMIR-VAWYXSNFSA-N
XLogP3.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one?
The IUPAC name of 4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one (CID 22929240) is 4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one is O=c1nc(-c2ccccc2)cc(/C=C/c2ccccc2)[nH]1.
What is the InChIKey of 4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one?
The InChIKey is ISGWRRVSPMOMIR-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18-19-16(12-11-14-7-3-1-4-8-14)13-17(20-18)15-9-5-2-6-10-15/h1-13H,(H,19,20,21)/b12-11+.
What are the key properties of 4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one?
4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one has a molecular weight of 274.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 22929240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).