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4-[5-[(2'-cyanobiphenyl-4-yl)methyl]-2-methyl-6-oxo-4-propylpyrimidin-1(6H)-yl]-N,N-dimethylbenzamide

HCID 57460680
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCc1nc(C)n(-c2ccc(C(=O)N(C)C)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1
InChIKey
OJABVUWKBQYWCO-UHFFFAOYSA-N
Molecular formula
C31H30N4O2
Average molar mass
490.6 g/mol

Names & identifiers

Preferred name
4-[5-[(2'-cyanobiphenyl-4-yl)methyl]-2-methyl-6-oxo-4-propylpyrimidin-1(6H)-yl]-N,N-dimethylbenzamide
IUPAC
4-[5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-oxo-4-propylpyrimidin-1-yl]-N,N-dimethylbenzamide

Names & synonyms

SCHEMBL1891152OJABVUWKBQYWCO-UHFFFAOYSA-N4-[5-[(2'-cyanobiphenyl-4-yl)methyl]-2-methyl-6-oxo-4-propylpyrimidin-1(6H)-yl]-N,N-dimethylbenzamide

Database identifiers

PubChem CID
57460680

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
76.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
37
Formal charge
0
Complexity
941

Related reactions

5 records
New reaction record
HRID 148914 reaction equation
HRID 148914As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1674086 reaction equation
HRID 1674086As productuspto-grants-2011_08
HRID 1674087 reaction equation
HRID 1674087As reactantuspto-grants-2011_08
HRID 1718756 reaction equation
HRID 1718756As productuspto-grants-2010_09
HRID 1718757 reaction equation
HRID 1718757As reactantuspto-grants-2010_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes