2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile

C23H17N3O2 — CID 56961407

IUPAC2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile
SMILESN#Cc1cccc(C2NC(=O)NC(c3ccccc3)=C2c2ccccc2)c1O
InChIInChI=1S/C23H17N3O2/c24-14-17-12-7-13-18(22(17)27)21-19(15-8-3-1-4-9-15)20(25-23(28)26-21)16-10-5-2-6-11-16/h1-13,21,27H,(H2,25,26,28)
InChIKeyOYLHMNNILFDXGC-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.19
Rot. Bonds3

About 2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile

2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile (PubChem CID 56961407) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile
PubChem CID56961407
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile
SMILESN#Cc1cccc(C2NC(=O)NC(c3ccccc3)=C2c2ccccc2)c1O
InChIInChI=1S/C23H17N3O2/c24-14-17-12-7-13-18(22(17)27)21-19(15-8-3-1-4-9-15)20(25-23(28)26-21)16-10-5-2-6-11-16/h1-13,21,27H,(H2,25,26,28)
InChIKeyOYLHMNNILFDXGC-UHFFFAOYSA-N
XLogP4.19
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile?
The IUPAC name of 2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile (CID 56961407) is 2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile.
What is the SMILES notation for 2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile?
The canonical SMILES for 2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile is N#Cc1cccc(C2NC(=O)NC(c3ccccc3)=C2c2ccccc2)c1O.
What is the InChIKey of 2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile?
The InChIKey is OYLHMNNILFDXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c24-14-17-12-7-13-18(22(17)27)21-19(15-8-3-1-4-9-15)20(25-23(28)26-21)16-10-5-2-6-11-16/h1-13,21,27H,(H2,25,26,28).
What are the key properties of 2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile?
2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile has a molecular weight of 367.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile is sourced from PubChem (CID 56961407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).