Basic information
- Standard SMILES
CCOC(=O)CCNC(=O)N1CCc2c(-c3cnc(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)nc3)nc(N3CCOCC3)nc21- InChIKey
CGHNTKWKFLUQKG-UHFFFAOYSA-N- Molecular formula
- C36H42N8O6
- Average molar mass
- 682.8 g/mol
Names & identifiers
- Preferred name
- 3-[(4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carbonyl)-amino]-propionic acid ethyl ester
- IUPAC
- ethyl 3-[[4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbonyl]amino]propanoate
Names & synonyms
SCHEMBL2379086CGHNTKWKFLUQKG-UHFFFAOYSA-N3-[(4-{2-[bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carbonyl)-amino]-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 59244232
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
4 records
Compound notes
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