(4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one

C25H22N2O — CID 100964466

IUPAC(4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one
SMILESC=C[C@H]1C(=O)N(Cc2ccccc2)C(c2ccccc2)=N[C@@H]1c1ccccc1
InChIInChI=1S/C25H22N2O/c1-2-22-23(20-14-8-4-9-15-20)26-24(21-16-10-5-11-17-21)27(25(22)28)18-19-12-6-3-7-13-19/h2-17,22-23H,1,18H2/t22-,23-/m1/s1
InChIKeyLLJCYUASPDNUOS-DHIUTWEWSA-N
MW366.46 g/mol
LogP5.02
Rot. Bonds5

About (4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one

(4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one (PubChem CID 100964466) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is (4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name(4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one
PubChem CID100964466
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name(4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one
SMILESC=C[C@H]1C(=O)N(Cc2ccccc2)C(c2ccccc2)=N[C@@H]1c1ccccc1
InChIInChI=1S/C25H22N2O/c1-2-22-23(20-14-8-4-9-15-20)26-24(21-16-10-5-11-17-21)27(25(22)28)18-19-12-6-3-7-13-19/h2-17,22-23H,1,18H2/t22-,23-/m1/s1
InChIKeyLLJCYUASPDNUOS-DHIUTWEWSA-N
XLogP5.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-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

Related Compounds

(4R,5R)-1-benzyl-2,4-diphenyl-5-prop-2-ynyl-4,5-dihydropyrimidin-6-one
CID 101467115
(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
CID 11265521
(3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone
CID 563948
(4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole
CID 53243818
(3aR,4S,7S,7aR)-2-benzyl-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99734182
(3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one
CID 102406763
2-benzyl-4,6-bis(ethenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane
CID 145010765
(3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one
CID 135011947
(4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole
CID 139040757
(3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one
CID 10036959
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione
CID 10544651

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of (4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one (CID 100964466) is (4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for (4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for (4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one is C=C[C@H]1C(=O)N(Cc2ccccc2)C(c2ccccc2)=N[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one?
The InChIKey is LLJCYUASPDNUOS-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H22N2O/c1-2-22-23(20-14-8-4-9-15-20)26-24(21-16-10-5-11-17-21)27(25(22)28)18-19-12-6-3-7-13-19/h2-17,22-23H,1,18H2/t22-,23-/m1/s1.
What are the key properties of (4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one?
(4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one has a molecular weight of 366.46 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 100964466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).