Basic information
- Standard SMILES
Cc1ncc(-c2ccnc(Nc3ccc(SCCCN4CCOCC4)cc3)n2)n1C(C)C- InChIKey
HFXIEPREEALDGK-UHFFFAOYSA-N- Molecular formula
- C24H32N6OS
- Average molar mass
- 452.6 g/mol
- Monoisotopic mass
- 452.23583084
Names & identifiers
- Preferred name
- 4-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(3-morpholinopropylthio)anilino]pyrimidine
- IUPAC
- 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-[4-(3-morpholin-4-ylpropylsulfanyl)phenyl]pyrimidin-2-amine
Names & synonyms
SCHEMBL5098985HFXIEPREEALDGK-UHFFFAOYSA-N4-(1-isopropyl-2-methylimidazol-5-yl)-2-[4-(3-morpholinopropylthio)anilino]pyrimidine
Database identifiers
- PubChem CID
- 69310619
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 541
Related reactions
3 records
Compound notes
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