2-(4,6-Dimethylpyrimidin-2-yl)-5-[(2-thiophen-2-ylphenyl)carbonyl]octahydro-pyrrolo[3,4-c]pyrrole

HCID 67116366
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Basic information

Standard SMILES
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1
InChIKey
LZTSTMNHWRCGAK-UHFFFAOYSA-N
Molecular formula
C23H24N4OS
Average molar mass
404.5 g/mol
Monoisotopic mass
404.16708258

Names & identifiers

Preferred name
2-(4,6-Dimethylpyrimidin-2-yl)-5-[(2-thiophen-2-ylphenyl)carbonyl]octahydro-pyrrolo[3,4-c]pyrrole
IUPAC
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-thiophen-2-ylphenyl)methanone

Names & synonyms

SCHEMBL1671405CHEMBL3646194LZTSTMNHWRCGAK-UHFFFAOYSA-NBDBM118390US8653263, 432-(4,6-Dimethylpyrimidin-2-yl)-5-[(2-thiophen-2-ylphenyl)carbonyl]octahydro-pyrrolo[3,4-c]pyrrole

Database identifiers

PubChem CID
67116366
ChEMBL
CHEMBL3646194

Properties

Computed structural properties

XLogP
4
Topological polar surface area
77.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
29

Related reactions

2 records
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Compound notes

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