Basic information
- Standard SMILES
CN(C)c1ncc(-c2nc(N3CCOCC3)c3nc(CN4CCN(S(C)(=O)=O)CC4)sc3n2)cn1- InChIKey
GIBKZOSYXQKPJS-UHFFFAOYSA-N- Molecular formula
- C21H29N9O3S2
- Average molar mass
- 519.6 g/mol
Names & identifiers
- Preferred name
- N,N-dimethyl-5-(2-((4-(methylsulfonyl)piperazin-1-yl)methyl)-7-morpholinothiazolo[5,4-d]pyrimidin-5-yl)pyrimidin-2-amine
- IUPAC
- N,N-dimethyl-5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL1191771GIBKZOSYXQKPJS-UHFFFAOYSA-NN,N-dimethyl-5-(2-((4-(methylsulfonyl)piperazin-1-yl)methyl)-7-morpholinothiazolo[5,4-d]pyrimidin-5-yl)pyrimidin-2-amine
Database identifiers
- PubChem CID
- 25254150
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 794
Related reactions
2 records
Compound notes
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