5-(but-3-en-1-ynyl)-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo [2,3-d]pyrimidin-2-amine

HCID 57713813

Basic information

Standard SMILES
C=CC#Cc1cn(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c12
InChIKey
CIKUXUSRMHQECF-UHFFFAOYSA-N
Molecular formula
C19H18ClN5O
Average molar mass
367.8 g/mol

Names & identifiers

Preferred name
5-(but-3-en-1-ynyl)-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo [2,3-d]pyrimidin-2-amine
IUPAC
5-but-3-en-1-ynyl-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

Names & synonyms

SCHEMBL312275CIKUXUSRMHQECF-UHFFFAOYSA-N5-(but-3-en-1-ynyl)-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo [2,3-d]pyrimidin-2-amine5-(but-3-en-1-ynyl)-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

Database identifiers

PubChem CID
57713813

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
78.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
26

Related reactions

7 records

Compound notes

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