Basic information
- Standard SMILES
Cc1ncc(-c2ccnc(Nc3ccc(SCCCO)cc3)n2)n1C(C)C- InChIKey
LKZKKHFMZUSBCO-UHFFFAOYSA-N- Molecular formula
- C20H25N5OS
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- 4-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(3-hydroxypropylthio)anilino]pyrimidine
- IUPAC
- 3-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]sulfanylpropan-1-ol
Names & synonyms
SCHEMBL5105346LKZKKHFMZUSBCO-UHFFFAOYSA-N4-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(3-hydroxypropylthio)anilino]pyrimidine
Database identifiers
- PubChem CID
- 69313108
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 433
Related reactions
1 records
Compound notes
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