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3-(4-Tert-butylphenyl)-5,5-dimethyl-1-{[2-(pyrimidin-5-ylamino)pyridin-4-yl]methyl}imidazolidine-2,4-dione

HCID 23630331
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(Nc4cncnc4)c3)C(C)(C)C2=O)cc1
InChIKey
PLIWYPFVEUJPOZ-UHFFFAOYSA-N
Molecular formula
C25H28N6O2
Average molar mass
444.5 g/mol

Names & identifiers

Preferred name
3-(4-Tert-butylphenyl)-5,5-dimethyl-1-{[2-(pyrimidin-5-ylamino)pyridin-4-yl]methyl}imidazolidine-2,4-dione
IUPAC
3-(4-tert-butylphenyl)-5,5-dimethyl-1-[[2-(pyrimidin-5-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione

Names & synonyms

SCHEMBL1882090PLIWYPFVEUJPOZ-UHFFFAOYSA-N3-(4-tert-butylphenyl)-5,5-dimethyl-1-{[2-(pyrimidin-5-ylamino)pyridin-4-yl]methyl}imidazolidine-2,4-dione

Database identifiers

PubChem CID
23630331

Properties

Computed structural propertiesFilling in

XLogP
3.7
Topological polar surface area
91.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Formal charge
0
Complexity
706

Related reactions

2 records
New reaction record
HRID 546580 reaction equation
HRID 546580As productuspto-grants-2011_05
HRID 1557477 reaction equation
HRID 1557477As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes