2-{4-[1-(1-Benzyl-4,5-dimethyl-6-oxo-1,6-dihydro-pyrimidin-2-yl)-2-methyl-propylamino]-3-oxo-butyl}-isoindole-1,3-dione

HCID 69018080

Basic information

Standard SMILES
Cc1nc(C(NCC(=O)CCN2C(=O)c3ccccc3C2=O)C(C)C)n(Cc2ccccc2)c(=O)c1C
InChIKey
RVMGQFVRRMCDSV-UHFFFAOYSA-N
Molecular formula
C29H32N4O4
Average molar mass
500.6 g/mol

Names & identifiers

Preferred name
2-{4-[1-(1-Benzyl-4,5-dimethyl-6-oxo-1,6-dihydro-pyrimidin-2-yl)-2-methyl-propylamino]-3-oxo-butyl}-isoindole-1,3-dione
IUPAC
2-[4-[[1-(1-benzyl-4,5-dimethyl-6-oxopyrimidin-2-yl)-2-methylpropyl]amino]-3-oxobutyl]isoindole-1,3-dione

Names & synonyms

SCHEMBL4366702RVMGQFVRRMCDSV-UHFFFAOYSA-N2-{4-[1-(1-Benzyl-4,5-dimethyl-6-oxo-1,6-dihydro-pyrimidin-2-yl)-2-methyl-propylamino]-3-oxo-butyl}-isoindole-1,3-dione

Database identifiers

PubChem CID
69018080

Properties

Computed structural properties

XLogP
3
Topological polar surface area
99.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
37

Related reactions

6 records

Compound notes

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