7-(tert-Butyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

HCID 86672076
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Basic information

Standard SMILES
CC(C)(C)n1ccc2c(Cl)ncnc21
InChIKey
ACSNBCFUYLEILS-UHFFFAOYSA-N
Molecular formula
C10H12ClN3
Average molar mass
209.67 g/mol
Monoisotopic mass
209.0719751

Names & identifiers

Preferred name
7-(tert-Butyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
IUPAC
7-tert-butyl-4-chloropyrrolo[2,3-d]pyrimidine

Names & synonyms

1402444-77-27-(tert-Butyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine7-tert-Butyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidineSCHEMBL12985280SCHEMBL29589225ACSNBCFUYLEILS-UHFFFAOYSA-NHS-4428DB-108273A1-41841

Database identifiers

PubChem CID
86672076

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
30.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14

Related reactions

1 records
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Compound notes

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