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

Analyze 4-methyl-5-phenyl-2-[(E)-2-phenylethenyl]-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

Related Compounds

N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide
CID 660997
6-benzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879019
2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135960846
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
2,3,6-trimethyl-5-phenylpyrimidin-4(3H)-one
CID 776568
2,6-Dimethyl-5-phenyl-3H-pyrimidin-4-one
CID 135407240
2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
CID 666416
1-benzyl-2,6-dimethyl-5-phenyl-4(1H)-pyrimidinone
CID 781510
6-benzyl-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1447954
6-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 6462251
2,5-dimethyl-6-(4-methylbenzyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457431
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-phenylpyrimidin-4-ol
CID 135449249

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).