1-[4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]-piperidin-1-yl]ethanone
Basic information
- Standard SMILES
COc1ccccc1C(=O)c1cnc(NC2CCN(C(C)=O)CC2)nc1N- InChIKey
HRWDCIVZBHCWOU-UHFFFAOYSA-N- Molecular formula
- C19H23N5O3
- Average molar mass
- 369.4 g/mol
Names & identifiers
- Preferred name
- 1-[4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]-piperidin-1-yl]ethanone
- IUPAC
- 1-[4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
Names & synonyms
CHEMBL217537SCHEMBL4348425BDBM12609HRWDCIVZBHCWOU-UHFFFAOYSA-N2,4-Diamino-5-ketopyrimidine 271-[4-[4-amino-5-(2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidin-1-yl]-ethanone1-[4-[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]-piperidin-1-yl]ethanone1-[4-({4-amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)piperidin-1-yl]ethan-1-one
Database identifiers
- PubChem CID
- 9999155
- ChEMBL
CHEMBL217537
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 523
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Related reactions
2 records
Compound notes
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