4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one

C19H16N2O — CID 135517050

IUPAC4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one
SMILESCc1nc(/C=C/c2ccccc2)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C19H16N2O/c1-14-18(16-10-6-3-7-11-16)19(22)21-17(20-14)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,20,21,22)/b13-12+
InChIKeyCEENWMACEMUHQH-OUKQBFOZSA-N
MW288.35 g/mol
LogP3.92
Rot. Bonds3

About 4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one

4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one (PubChem CID 135517050) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one
PubChem CID135517050
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one
SMILESCc1nc(/C=C/c2ccccc2)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C19H16N2O/c1-14-18(16-10-6-3-7-11-16)19(22)21-17(20-14)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,20,21,22)/b13-12+
InChIKeyCEENWMACEMUHQH-OUKQBFOZSA-N
XLogP3.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one (CID 135517050) is 4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one is Cc1nc(/C=C/c2ccccc2)[nH]c(=O)c1-c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one?
The InChIKey is CEENWMACEMUHQH-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H16N2O/c1-14-18(16-10-6-3-7-11-16)19(22)21-17(20-14)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,20,21,22)/b13-12+.
What are the key properties of 4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one?
4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one has a molecular weight of 288.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135517050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).