Basic information
- Standard SMILES
COc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)OCC(C)C)CC2)nc1N- InChIKey
QHPNMVKFLGCBPM-UHFFFAOYSA-N- Molecular formula
- C22H29N5O4
- Average molar mass
- 427.5 g/mol
Names & identifiers
- Preferred name
- 4-[4-Amino-5-(2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-carboxylic acid iso-butyl ester
- IUPAC
- 2-methylpropyl 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL4358670QHPNMVKFLGCBPM-UHFFFAOYSA-N4-[4-amino-5-(2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-carboxylic acid iso-butyl ester
Database identifiers
- PubChem CID
- 10071185
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 596
Related reactions
3 records
Compound notes
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