3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one

C23H28N2O2 — CID 123396997

IUPAC3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one
SMILESCCCCCC(C)N1CC(O)C(=O)N=C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H28N2O2/c1-3-4-6-9-17(2)25-16-21(26)23(27)24-22(25)20-14-12-19(13-15-20)18-10-7-5-8-11-18/h5,7-8,10-15,17,21,26H,3-4,6,9,16H2,1-2H3
InChIKeyBCQBEDRVZBLJBX-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.27
Rot. Bonds7

About 3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one

3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one (PubChem CID 123396997) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one
PubChem CID123396997
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one
SMILESCCCCCC(C)N1CC(O)C(=O)N=C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H28N2O2/c1-3-4-6-9-17(2)25-16-21(26)23(27)24-22(25)20-14-12-19(13-15-20)18-10-7-5-8-11-18/h5,7-8,10-15,17,21,26H,3-4,6,9,16H2,1-2H3
InChIKeyBCQBEDRVZBLJBX-UHFFFAOYSA-N
XLogP4.27
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-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 3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one?
The IUPAC name of 3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one (CID 123396997) is 3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one is CCCCCC(C)N1CC(O)C(=O)N=C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one?
The InChIKey is BCQBEDRVZBLJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-4-6-9-17(2)25-16-21(26)23(27)24-22(25)20-14-12-19(13-15-20)18-10-7-5-8-11-18/h5,7-8,10-15,17,21,26H,3-4,6,9,16H2,1-2H3.
What are the key properties of 3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one?
3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one has a molecular weight of 364.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 123396997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).