Basic information
- Standard SMILES
NC(=O)c1c(N)ncnc1N1CCC(c2nc(C3CCCCC3)cn2CCN2CCC2)CC1- InChIKey
VJKDRJBAKXNGGX-UHFFFAOYSA-N- Molecular formula
- C24H36N8O
- Average molar mass
- 452.6 g/mol
Names & identifiers
- Preferred name
- 4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-cyclohexyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carboxylic acid amide
- IUPAC
- 4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclohexylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
Names & synonyms
CHEMBL3961623SCHEMBL14786587VJKDRJBAKXNGGX-UHFFFAOYSA-NBDBM182379US9145392, 804-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-cyclohexyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carboxylic acid amide
Database identifiers
- PubChem CID
- 89445587
- ChEMBL
CHEMBL3961623
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 646
Related reactions
1 records
Compound notes
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