4'-({4-butyl-1-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile

HCID 57460236

Basic information

Standard SMILES
CCCCc1nc(C)n(Cc2cc(C)n(C)n2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1
InChIKey
UEKQYLHPDRDNDQ-UHFFFAOYSA-N
Molecular formula
C29H31N5O
Average molar mass
465.6 g/mol

Names & identifiers

Preferred name
4'-({4-butyl-1-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile
IUPAC
2-[4-[[4-butyl-1-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]benzonitrile

Names & synonyms

SCHEMBL12348607UEKQYLHPDRDNDQ-UHFFFAOYSA-N4'-({4-butyl-1-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile

Database identifiers

PubChem CID
57460236

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
74.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
35

Related reactions

5 records

Linked notes

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