Basic information
- Standard SMILES
C[C@H]1COCCN1c1nc(-c2cncnc2)nc2cc(CN3CCN(C)CC3)sc12- InChIKey
WAUZARFQARQRSG-HNNXBMFYSA-N- Molecular formula
- C21H27N7OS
- Average molar mass
- 425.6 g/mol
Names & identifiers
- Preferred name
- (S)-3-methyl-4-(6-((4-methylpiperazin-1-yl)methyl)-2-(pyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl)morpholine
- IUPAC
- (3S)-3-methyl-4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
Names & synonyms
SCHEMBL1181328WAUZARFQARQRSG-HNNXBMFYSA-N(S)-3-methyl-4-(6-((4-methylpiperazin-1-yl)methyl)-2-(pyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl)morpholine
Database identifiers
- PubChem CID
- 24948169
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 557
Related reactions
3 records
Compound notes
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