2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-fluoro-4-pyrazol-1-ylanilino)pyrimidine-5-carboxamide
Basic information
- Standard SMILES
NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc(-n2cccn2)c(F)c1- InChIKey
YRQOKPJKTBBVOT-JKSUJKDBSA-N- Molecular formula
- C20H23FN8O
- Average molar mass
- 410.4 g/mol
Names & identifiers
- Preferred name
- 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-fluoro-4-pyrazol-1-ylanilino)pyrimidine-5-carboxamide
- IUPAC
- 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-fluoro-4-pyrazol-1-ylanilino)pyrimidine-5-carboxamide
Names & synonyms
SCHEMBL1353473YRQOKPJKTBBVOT-JKSUJKDBSA-N
Database identifiers
- PubChem CID
- 44518657
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 583
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…