N-(2-amino-5-(oxetan-3-yl)phenyl)-3-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(methyl)amino)cyclobutyl)propanamide

HCID 67775354

Basic information

Standard SMILES
CN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)C1CC(CCC(=O)Nc2cc(C3COC3)ccc2N)C1
InChIKey
XFBIWQYJXSTNEW-WJPJPYPPSA-N
Molecular formula
C30H40N8O5
Average molar mass
592.7 g/mol

Names & identifiers

Preferred name
N-(2-amino-5-(oxetan-3-yl)phenyl)-3-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(methyl)amino)cyclobutyl)propanamide
IUPAC
3-[3-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-methylamino]cyclobutyl]-N-[2-amino-5-(oxetan-3-yl)phenyl]propanamide

Names & synonyms

SCHEMBL9106959XFBIWQYJXSTNEW-WJPJPYPPSA-NN-(2-amino-5-(oxetan-3-yl)phenyl)-3-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(methyl)amino)cyclobutyl)propanamide

Database identifiers

PubChem CID
67775354

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
165 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
11
Rotatable bonds
9
Heavy atoms
43

Related reactions

4 records

Compound notes

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