2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one

C25H18N2O3 — CID 135544458

IUPAC2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESO=C(C(=C(O)c1ccccc1)c1nc(-c2ccccc2)cc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C25H18N2O3/c28-21-16-20(17-10-4-1-5-11-17)26-25(27-21)22(23(29)18-12-6-2-7-13-18)24(30)19-14-8-3-9-15-19/h1-16,29H,(H,26,27,28)
InChIKeyYDBDDIRMKYAAIP-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.75
Rot. Bonds5

About 2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one

2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135544458) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135544458
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC Name2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESO=C(C(=C(O)c1ccccc1)c1nc(-c2ccccc2)cc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C25H18N2O3/c28-21-16-20(17-10-4-1-5-11-17)26-25(27-21)22(23(29)18-12-6-2-7-13-18)24(30)19-14-8-3-9-15-19/h1-16,29H,(H,26,27,28)
InChIKeyYDBDDIRMKYAAIP-UHFFFAOYSA-N
XLogP4.75
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one (CID 135544458) is 2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one is O=C(C(=C(O)c1ccccc1)c1nc(-c2ccccc2)cc(=O)[nH]1)c1ccccc1.
What is the InChIKey of 2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is YDBDDIRMKYAAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c28-21-16-20(17-10-4-1-5-11-17)26-25(27-21)22(23(29)18-12-6-2-7-13-18)24(30)19-14-8-3-9-15-19/h1-16,29H,(H,26,27,28).
What are the key properties of 2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one?
2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 394.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135544458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).