N2-Butyl-8-(methoxy)-9-(tetrahydro-3-furanylmethyl)-9H-Purine-2,6-diamine

HCID 57699650

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCNc1nc(N)c2nc(OC)n(CC3CCOC3)c2n1
InChIKey: DHDHORPAMAVZPU-UHFFFAOYSA-N
Molecular formula: C15H24N6O2
Average molar mass: 320.39 g/mol
Monoisotopic mass: 320.19607403

Names & identifiers

Preferred name: N2-Butyl-8-(methoxy)-9-(tetrahydro-3-furanylmethyl)-9H-Purine-2,6-diamine
IUPAC: 2-N-butyl-8-methoxy-9-(oxolan-3-ylmethyl)purine-2,6-diamine

Names & synonyms

N2-Butyl-8-(methoxy)-9-(tetrahydro-3-furanylmethyl)-9H-Purine-2,6-diamineN2-Butyl-8-(methoxy)-9-[tetrahydro-3-furanylmethyl]-9H-Purine-2,6-diamineSCHEMBL2196256DHDHORPAMAVZPU-UHFFFAOYSA-NN2-Butyl-8-(methoxy)-9-[(tetrahydro-3-furanyl)methyl]-9H-purine-2,6-diamine

Database identifiers

PubChem CID: 57699650

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 100 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 374

Related reactions

7 records

New reaction record

HRID 938044As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1011052As productuspto-grants-2011_07

HRID 1011053As productuspto-grants-2011_07

HRID 1011060As productuspto-grants-2011_07

HRID 1011153As reactantuspto-grants-2011_07

HRID 1149775As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2154173As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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