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1-((4-(4-bromo-2-cyclopropyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-5-yl)pyrimidin-2-ylamino)methyl)cyclopropanecarbonitrile

HCID 69809591
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C[Si](C)(C)CCOCn1c(C2CC2)nc(Br)c1-c1ccnc(NCC2(C#N)CC2)n1
InChIKey
RDDZQMFGHYSKJZ-UHFFFAOYSA-N
Molecular formula
C21H29BrN6OSi
Average molar mass
489.5 g/mol
Monoisotopic mass
488.13555

Names & identifiers

Preferred name
1-((4-(4-bromo-2-cyclopropyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-5-yl)pyrimidin-2-ylamino)methyl)cyclopropanecarbonitrile
IUPAC
1-[[[4-[5-bromo-2-cyclopropyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-yl]amino]methyl]cyclopropane-1-carbonitrile

Names & synonyms

SCHEMBL6518143RDDZQMFGHYSKJZ-UHFFFAOYSA-N1-((4-(4-bromo-2-cyclopropyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-5-yl)pyrimidin-2-ylamino)methyl)cyclopropanecarbonitrile

Database identifiers

PubChem CID
69809591

Properties

Computed structural propertiesFilling in

Topological polar surface area
88.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
30
Formal charge
0
Complexity
643

Related reactions

3 records
New reaction record
HRID 535746 reaction equation
HRID 535746As productuspto-grants-2014_10
HRID 885743 reaction equation
HRID 885743As productuspto-grants-2012_08
HRID 1043723 reaction equation
HRID 1043723As productuspto-grants-2013_10

Compound notes

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