Basic information
- Standard SMILES
Cn1c(CN2CCC(C3COC3)CC2)nc2c(N3CCOCC3)nc(Nc3ccccc3N)nc21- InChIKey
UAZSBUHNRGBLEJ-UHFFFAOYSA-N- Molecular formula
- C25H34N8O2
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.28047236
Names & identifiers
- Preferred name
- N-[9-methyl-6-morpholin-4-yl-8-(4-oxetan-3-ylpiperidin-1-ylmethyl)-9H-purin-2-yl]benzene-1,2-diamine
- IUPAC
- 2-N-[9-methyl-6-morpholin-4-yl-8-[[4-(oxetan-3-yl)piperidin-1-yl]methyl]purin-2-yl]benzene-1,2-diamine
Names & synonyms
SCHEMBL2673575UAZSBUHNRGBLEJ-UHFFFAOYSA-NN-[9-Methyl-6-morpholin-4-yl-8-(4-oxetan-3-yl-piperidin-1-ylmethyl)-9H-purin-2-yl]benzene-1,2-diamineN-[9-methyl-6-morpholin-4-yl-8-(4-oxetan-3-ylpiperidin-1-ylmethyl)-9H-purin-2-yl]benzene-1,2-diamine
Database identifiers
- PubChem CID
- 59605317
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 684
Related reactions
4 records
Compound notes
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