3-[4-Amino-5-(2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-carboxylic acid ethyl ester
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Basic information
- Standard SMILES
CCOC(=O)N1CCCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)C1- InChIKey
UFBJPKLCOZNVAI-UHFFFAOYSA-N- Molecular formula
- C20H25N5O4
- Average molar mass
- 399.4 g/mol
Names & identifiers
- Preferred name
- 3-[4-Amino-5-(2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL4351729UFBJPKLCOZNVAI-UHFFFAOYSA-N3-[4-amino-5-(2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58777557
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 563
Related reactions
3 records
Compound notes
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