2-(2-isopropyl-1H-imidazol-1-yl)-4-morpholino-6-((piperazin-1-yl)methyl)thieno[3,2-d]pyrimidine

HCID 66934151
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Basic information

Standard SMILES
CC(C)c1nccn1-c1nc(N2CCOCC2)c2sc(CN3CCNCC3)cc2n1
InChIKey
JJCBDPDTQFUJRN-UHFFFAOYSA-N
Molecular formula
C21H29N7OS
Average molar mass
427.6 g/mol

Names & identifiers

Preferred name
2-(2-isopropyl-1H-imidazol-1-yl)-4-morpholino-6-((piperazin-1-yl)methyl)thieno[3,2-d]pyrimidine
IUPAC
4-[6-(piperazin-1-ylmethyl)-2-(2-propan-2-ylimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

Names & synonyms

SCHEMBL1181476JJCBDPDTQFUJRN-UHFFFAOYSA-N2-(2-isopropyl-1H-imidazol-1-yl)-4-morpholino-6-((piperazin-1-yl)methyl)thieno[3,2-d]pyrimidine

Database identifiers

PubChem CID
66934151

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
99.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
30

Related reactions

3 records
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Compound notes

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