Basic information
- Standard SMILES
NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1ccc(-n2cccc2)cc1- InChIKey
VNJOOMSXUJFYTG-UHFFFAOYSA-N- Molecular formula
- C21H25N7O
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.21205845
Names & identifiers
- IUPAC
- 2-[(2-aminocyclohexyl)amino]-4-(4-pyrrol-1-ylanilino)pyrimidine-5-carboxamide
Database identifiers
- PubChem CID
- 75040318
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 533
Related reactions
1 records
Compound notes
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