2-chloro-7-[1,1-dimethyl-2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

HCID 86672088
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Basic information

Standard SMILES
CC(C)(COC1CCCCO1)n1cc(I)c2cnc(Cl)nc21
InChIKey
KYQWDGUKWCWWOR-UHFFFAOYSA-N
Molecular formula
C15H19ClIN3O2
Average molar mass
435.69 g/mol
Monoisotopic mass
435.02105

Names & identifiers

Preferred name
2-chloro-7-[1,1-dimethyl-2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
IUPAC
2-chloro-5-iodo-7-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine

Names & synonyms

SCHEMBL12985718KYQWDGUKWCWWOR-UHFFFAOYSA-NDB-1498271402445-16-22-chloro-7-[1,1-dimethyl-2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-5-iodo-7H-pyrrolo[2,3-d]pyrimidine2-chloro-7-[1,1-dimethyl-2-(tetrahydro-pyran-2-yloxy)-ethyl]-5-iodo-7H-pyrrolo[2,3-d]pyrimidine2-Chloro-7-[1,1-dimethyl-2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

Database identifiers

PubChem CID
86672088

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
49.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
22

Related reactions

1 records
New reaction record

Compound notes

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