9-[(4-fluorophenyl)methyl]-N-(4-piperidinyl)-9H-purin-8-amine

HCID 19785343

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1ccc(Cn2c(NC3CCNCC3)nc3cncnc32)cc1
InChIKey: YVEHIRVGAJDDHI-UHFFFAOYSA-N
Molecular formula: C17H19FN6
Average molar mass: 326.4 g/mol
Monoisotopic mass: 326.16552279

Names & identifiers

Preferred name: 9-[(4-fluorophenyl)methyl]-N-(4-piperidinyl)-9H-purin-8-amine
IUPAC: 9-[(4-fluorophenyl)methyl]-N-piperidin-4-ylpurin-8-amine

Names & synonyms

SCHEMBL9564845YVEHIRVGAJDDHI-UHFFFAOYSA-N9-[(4-fluorophenyl)methyl]-N-(4-piperidinyl)-9H-purin-8-amine

Database identifiers

PubChem CID: 19785343

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 67.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 397

Related reactions

10 records

New reaction record

HRID 205645As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 256664As reactantuspto-grants-1993_11

HRID 256665As reactantuspto-grants-1993_11

HRID 256667As reactantuspto-grants-1993_11

HRID 256668As reactantuspto-grants-1993_11

HRID 1560910As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2162771As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2248817As reactantuspto-grants-1991_08

Compound notes

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