[4-[4-(2-Aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
Basic information
- Standard SMILES
Cc1cc(C(=O)N2CCN(CCO)CC2)ccc1N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21- InChIKey
RXTZFECIZPFGCI-UHFFFAOYSA-N- Molecular formula
- C28H35N9O3
- Average molar mass
- 545.6 g/mol
- Monoisotopic mass
- 545.28628601
Names & identifiers
- Preferred name
- [4-[4-(2-Aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
- IUPAC
- [4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
Names & synonyms
SCHEMBL2375771
Database identifiers
- PubChem CID
- 59244361
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 832
Related reactions
1 records
Compound notes
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