Basic information
- Standard SMILES
COc1ccc(Nc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4c3ncn4C3CCCCO3)c2)cc1- InChIKey
ATZZKIAERIKLPB-UHFFFAOYSA-N- Molecular formula
- C29H30N8O3
- Average molar mass
- 538.6 g/mol
Names & identifiers
- Preferred name
- N5-(4-methoxyphenyl)-N2-(6-methoxypyridin-3-yl)-3-(2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridine-2,5-diamine
- IUPAC
- 5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]pyridine-2,5-diamine
Names & synonyms
SCHEMBL116967ATZZKIAERIKLPB-UHFFFAOYSA-NN5-(4-methoxyphenyl)-N2-(6-methoxypyridin-3-yl)-3-(2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridine-2,5-diamine
Database identifiers
- PubChem CID
- 66600577
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 788
Related reactions
3 records
Compound notes
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