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

HCID 66600577

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

Related reactions

3 records

Compound notes

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