1-[4-(8-Benzylsulfanyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-yl)piperazin-1-yl]propan-2-ol

HCID 20150176
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Basic information

Standard SMILES
CC(O)CN1CCN(c2nc(N3CCOCC3)c3ncnc(SCc4ccccc4)c3n2)CC1
InChIKey
CUARYCYQAFLUGB-UHFFFAOYSA-N
Molecular formula
C24H31N7O2S
Average molar mass
481.6 g/mol

Names & identifiers

Preferred name
1-[4-(8-Benzylsulfanyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-yl)piperazin-1-yl]propan-2-ol
IUPAC
1-[4-(8-benzylsulfanyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-yl)piperazin-1-yl]propan-2-ol

Names & synonyms

SCHEMBL10657404

Database identifiers

PubChem CID
20150176

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
116 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
34

Related reactions

1 records
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Compound notes

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