Basic information
- Standard SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=O)N(C)c3cccc(N4CCN(CCO)CC4)c3)cn2)cc1- InChIKey
FUMFYRYWCQOFJT-UHFFFAOYSA-N- Molecular formula
- C44H52N10O5
- Average molar mass
- 800.9 g/mol
Names & identifiers
- Preferred name
- 4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-phenyl}-methyl-amide
- IUPAC
- 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
Names & synonyms
SCHEMBL2377192FUMFYRYWCQOFJT-UHFFFAOYSA-N4-{2-[bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-phenyl}-methyl-amide
Database identifiers
- PubChem CID
- 67385641
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
2 records
Compound notes
Loading…