Basic information
- Standard SMILES
CCOC(=O)CCC(NC(=O)c1ccc(Nc2ncccn2)cc1)C(=O)OCC- InChIKey
YPGKJFRZCNZICM-UHFFFAOYSA-N- Molecular formula
- C20H24N4O5
- Average molar mass
- 400.4 g/mol
Names & identifiers
- Preferred name
- 2-[4-(Pyrimidin-2-ylamino)-benzoylamino]-pentanedioic acid diethyl ester
- IUPAC
- diethyl 2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]pentanedioate
Names & synonyms
SCHEMBL2249975YPGKJFRZCNZICM-UHFFFAOYSA-N2-[4-(pyrimidin-2-ylamino)-benzoylamino]-pentanedioic acid diethyl ester
Database identifiers
- PubChem CID
- 67334207
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 531
Related reactions
5 records
Compound notes
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