2-Chloro-9-methyl-6-morpholino-9H-purine-8-carbaldehyde

HCID 59603472

Notes Reactions

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Basic information

Standard SMILES: Cn1c(C=O)nc2c(N3CCOCC3)nc(Cl)nc21
InChIKey: SUTRBEZVZHHHIW-UHFFFAOYSA-N
Molecular formula: C11H12ClN5O2
Average molar mass: 281.7 g/mol
Monoisotopic mass: 281.0679523

Names & identifiers

Preferred name: 2-Chloro-9-methyl-6-morpholino-9H-purine-8-carbaldehyde
IUPAC: 2-chloro-9-methyl-6-morpholin-4-ylpurine-8-carbaldehyde

Names & synonyms

2-Chloro-9-methyl-6-morpholino-9H-purine-8-carbaldehyde1148003-33-12-chloro-9-methyl-6-morpholin-4-ylpurine-8-carbaldehyde2-chloro-9-methyl-6-(morpholin-4-yl)-9H-purine-8-carbaldehyde2-chloro-9-methyl-6-morpholin-4-yl-9H-purine-8-carbaldehydeSCHEMBL1114183SUTRBEZVZHHHIW-UHFFFAOYSA-NCS-04517802-chloro-9-methyl-6-morpholino-purine-8-carbaldehyde

Database identifiers

PubChem CID: 59603472

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 73.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 341

Related reactions

39 records

New reaction record

HRID 151299As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 195767As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 286935As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 288191As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 295088As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 666582As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 667782As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1200981As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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