Basic information
- Standard SMILES
Nc1ccc(F)cc1Nc1nc(Cl)c2[nH]c(=O)n(C3CCC(O)CC3)c2n1- InChIKey
PCANEWAPOOCLCD-UHFFFAOYSA-N- Molecular formula
- C17H18ClFN6O2
- Average molar mass
- 392.8 g/mol
Names & identifiers
- Preferred name
- 2-(2-amino-5-fluorophenylamino)-6-chloro-9-(trans-4-hydroxycyclohexyl)-7H-purin-8(9H)-one
- IUPAC
- 2-(2-amino-5-fluoroanilino)-6-chloro-9-(4-hydroxycyclohexyl)-7H-purin-8-one
Names & synonyms
SCHEMBL1512002SCHEMBL1512005PCANEWAPOOCLCD-MGCOHNPYSA-N2-(2-amino-5-fluorophenylamino)-6-chloro-9-(trans-4-hydroxycyclohexyl)-7H-purin-8(9H)-one
Database identifiers
- PubChem CID
- 86622945
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 552
Related reactions
1 records
Compound notes
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