Basic information
- Standard SMILES
CNc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C4COC4)CC3)n(C)c2n1- InChIKey
YOHJITRJMWPKPX-UHFFFAOYSA-N- Molecular formula
- C27H35N9O2
- Average molar mass
- 517.6 g/mol
- Monoisotopic mass
- 517.29137139
Names & identifiers
- Preferred name
- N-methyl-1-(9-methyl-6-morpholino-8-((4-(oxetan-3-yl)piperidin-1-yl)methyl)-9H-purin-2-yl)-1H-benzo[d]imidazol-2-amine
- IUPAC
- N-methyl-1-[9-methyl-6-morpholin-4-yl-8-[[4-(oxetan-3-yl)piperidin-1-yl]methyl]purin-2-yl]benzimidazol-2-amine
Names & synonyms
SCHEMBL2675312YOHJITRJMWPKPX-UHFFFAOYSA-NN-methyl-1-(9-methyl-6-morpholino-8-((4-(oxetan-3-yl)piperidin-1-yl)methyl)-9H-purin-2-yl)-1H-benzo[d]imidazol-2-amine
Database identifiers
- PubChem CID
- 59605901
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 791
Related reactions
2 records
Compound notes
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