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Basic information
- Standard SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=O)NCCC(N)=O)cn2)cc1- InChIKey
YJHBZFGBIYVHGQ-UHFFFAOYSA-N- Molecular formula
- C34H39N9O5
- Average molar mass
- 653.7 g/mol
- Monoisotopic mass
- 653.30741538
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 (2-carbamoyl-ethyl)-amide
- IUPAC
- N-(3-amino-3-oxopropyl)-4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
Names & synonyms
SCHEMBL2376657YJHBZFGBIYVHGQ-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 (2-carbamoyl-ethyl)-amide
Database identifiers
- PubChem CID
- 59244692
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 987
Related reactions
1 records
Compound notes
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