6-Chloro-9-(3,4,5-trimethyl-pyridin-2-ylmethyl)-9H-purin-2-ylamine

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1C
InChIKey: OOPLEVVGBATVMA-UHFFFAOYSA-N
Molecular formula: C14H15ClN6
Average molar mass: 302.76 g/mol
Monoisotopic mass: 302.1046722

Names & identifiers

Preferred name: 6-Chloro-9-(3,4,5-trimethyl-pyridin-2-ylmethyl)-9H-purin-2-ylamine
IUPAC: 6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine

Names & synonyms

CHEMBL229576SCHEMBL3396095BDBM20812OOPLEVVGBATVMA-UHFFFAOYSA-N6-Chloro-9-(3,4,5-trimethyl-pyridin-2-ylmethyl)-9H-purin-2-ylamine6-chloro-9-[(3,4,5-trimethylpyridin-2-yl)methyl]-9H-purin-2-amine

Database identifiers

PubChem CID: 16736767
ChEMBL: CHEMBL229576

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 82.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 369

Related reactions

3 records

New reaction record

HRID 722111As productuspto-grants-2006_11

HRID 815368As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1136983As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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