Basic information
- Standard SMILES
Cc1nc(-c2cccc(Nc3nc(N[C@@H]4CCCC[C@@H]4N)ncc3C(N)=O)c2)no1- InChIKey
ZLRJAIIOWRFIIR-JKSUJKDBSA-N- Molecular formula
- C20H24N8O2
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.20222204
Names & identifiers
- Preferred name
- 2-((1R,2S)-2-aminocyclohexylamino)-4-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenylamino)pyrimidine-5-carboxamide
- IUPAC
- 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]pyrimidine-5-carboxamide
Names & synonyms
2-((1R,2S)-2-aminocyclohexylamino)-4-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenylamino)pyrimidine-5-carboxamideSCHEMBL1353904CHEMBL6005267US9579320, Example 56ZLRJAIIOWRFIIR-JKSUJKDBSA-NBDBM290664
Database identifiers
- PubChem CID
- 46184367
- ChEMBL
CHEMBL6005267
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 581
Related reactions
4 records
Compound notes
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