Basic information
- Standard SMILES
NC(=O)Cc1ccc(Nc2cc(C3CC3)nc(-c3cccc(Cl)c3)n2)cc1- InChIKey
VUOWREGYULERCT-UHFFFAOYSA-N- Molecular formula
- C21H19ClN4O
- Average molar mass
- 378.9 g/mol
Names & identifiers
- Preferred name
- 2-(4-((2-(3-Chlorophenyl)-6-cyclopropylpyrimidin-4-yl)amino)phenyl)acetamide
- IUPAC
- 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]acetamide
Names & synonyms
2-(4-((2-(3-Chlorophenyl)-6-cyclopropylpyrimidin-4-yl)amino)phenyl)acetamideCHEMBL5858108SCHEMBL15947987VUOWREGYULERCT-UHFFFAOYSA-NBDBM562635US11401286, Example 207
Database identifiers
- PubChem CID
- 90338596
- ChEMBL
CHEMBL5858108
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
1 records
Compound notes
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