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2-(aminomethyl)-N-(2,2-diphenylethyl)-9-tetrahydro-2H-pyran-2-yl-9H-purin-6-amine

HCID 22948628
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Basic information

Standard SMILES
NCc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3CCCCO3)c2n1
InChIKey
UMAUVFFXDLXUBZ-UHFFFAOYSA-N
Molecular formula
C25H28N6O
Average molar mass
428.5 g/mol

Names & identifiers

Preferred name
2-(aminomethyl)-N-(2,2-diphenylethyl)-9-tetrahydro-2H-pyran-2-yl-9H-purin-6-amine
IUPAC
2-(aminomethyl)-N-(2,2-diphenylethyl)-9-(oxan-2-yl)purin-6-amine

Names & synonyms

SCHEMBL5405484UMAUVFFXDLXUBZ-UHFFFAOYSA-N2-(Aminomethyl)-N-(2,2-diphenylethyl )-9-tetrahydro-2H-pyran-2-yl-9H-purin-6-amine2-(Aminomethyl)-N-(2,2-diphenylethyl)-9-tetrahydro-2H-pyran-2-yi-9H-purin-6-amine2-(aminomethyl)-N-(2,2-diphenylethyl)-9-tetrahydro-2H-pyran-2-yl-9H-purin-6-amineN-[2-(aminomethyl)-9-tetrahydro-2H-pyran-2-yl-9H-purin-6-yl]-N-(2,2-diphenylethyl)amine

Database identifiers

PubChem CID
22948628

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
90.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Formal charge
0
Complexity
549

Related reactions

8 records
New reaction record
HRID 310735 reaction equation
HRID 310735As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 897089 reaction equation
HRID 897089As productuspto-grants-2005_07
HRID 1168283 reaction equation
HRID 1168283As productuspto-grants-2003_09
HRID 1168284 reaction equation
HRID 1168284As reactantuspto-grants-2003_09
HRID 1293021 reaction equation
HRID 1293021As productuspto-grants-2007_07
HRID 1545843 reaction equation
HRID 1545843As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1700093 reaction equation
HRID 1700093As productuspto-grants-2002_02
HRID 1700094 reaction equation
HRID 1700094As reactantuspto-grants-2002_02

Compound notes

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