5-[8-(trans-2,5-Dimethylpiperazin-1-yl)-9-isobutyl-6-morpholin-4-yl-9H-purin-2-yl]pyrimidin-2-amine

HCID 66658712
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Basic information

Standard SMILES
CC(C)Cn1c(N2C[C@@H](C)NC[C@@H]2C)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21
InChIKey
LOSUWAMOQWGNOS-CVEARBPZSA-N
Molecular formula
C23H34N10O
Average molar mass
466.6 g/mol

Names & identifiers

Preferred name
5-[8-(trans-2,5-Dimethylpiperazin-1-yl)-9-isobutyl-6-morpholin-4-yl-9H-purin-2-yl]pyrimidin-2-amine
IUPAC
5-[8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-9-(2-methylpropyl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine

Names & synonyms

SCHEMBL337359LOSUWAMOQWGNOS-CVEARBPZSA-N5-[8-(trans-2,5-Dimethylpiperazin-1-yl)-9-isobutyl-6-morpholin-4-yl-9H-purin-2-yl]pyrimidin-2-amine

Database identifiers

PubChem CID
66658712

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
123 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
34

Related reactions

2 records
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Linked notes

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