ethyl 4-(3-(2-(aminomethyl)acrylamido)phenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
Basic information
- Standard SMILES
C=C(CN)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1- InChIKey
KKVKSKLTNCSVMG-UHFFFAOYSA-N- Molecular formula
- C19H19N5O3
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- ethyl 4-(3-(2-(aminomethyl)acrylamido)phenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
- IUPAC
- ethyl 4-[3-[2-(aminomethyl)prop-2-enoylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
Names & synonyms
CHEMBL3651038SCHEMBL15032797KKVKSKLTNCSVMG-UHFFFAOYSA-NBDBM153215US8993756, 13-2ethyl 4-(3-(2-(aminomethyl)acrylamido)phenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 89630004
- ChEMBL
CHEMBL3651038
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 570
Related reactions
2 records
Compound notes
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