4-[1-(2-aminopyrimidin-4-yl)-2-(oxetan-3-yloxy)-1H-1,3-benzodiazol-6-yl]-2-(pyrimidin-2-yl)but-3-yn-2-ol

HCID 68181748
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Basic information

Standard SMILES
CC(O)(C#Cc1ccc2nc(OC3COC3)n(-c3ccnc(N)n3)c2c1)c1ncccn1
InChIKey
ZRYTXEOMMMVFGA-UHFFFAOYSA-N
Molecular formula
C22H19N7O3
Average molar mass
429.4 g/mol
Monoisotopic mass
429.15493749

Names & identifiers

Preferred name
4-[1-(2-aminopyrimidin-4-yl)-2-(oxetan-3-yloxy)-1H-1,3-benzodiazol-6-yl]-2-(pyrimidin-2-yl)but-3-yn-2-ol
IUPAC
4-[3-(2-aminopyrimidin-4-yl)-2-(oxetan-3-yloxy)benzimidazol-5-yl]-2-pyrimidin-2-ylbut-3-yn-2-ol

Names & synonyms

SCHEMBL11970772ZRYTXEOMMMVFGA-UHFFFAOYSA-N4-[1-(2-aminopyrimidin-4-yl)-2-(oxetan-3-yloxy)-1H-1,3-benzodiazol-6-yl]-2-(pyrimidin-2-yl)but-3-yn-2-ol

Database identifiers

PubChem CID
68181748

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
134 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
32

Related reactions

1 records
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Compound notes

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