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Basic information
- Standard SMILES
CCN1CCN(C(=O)c2cccc(NC(=O)N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)c2C)CC1- InChIKey
OMOSQAXLIUBTGS-UHFFFAOYSA-N- Molecular formula
- C29H36N10O3
- Average molar mass
- 572.7 g/mol
- Monoisotopic mass
- 572.29718505
Names & identifiers
- Preferred name
- 4-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-(4-ethyl-piperazine-1-carbonyl)-2-methyl-phenyl]-amide
- IUPAC
- 4-(2-aminopyrimidin-5-yl)-N-[3-(4-ethylpiperazine-1-carbonyl)-2-methylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
Names & synonyms
SCHEMBL2376387OMOSQAXLIUBTGS-UHFFFAOYSA-N4-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-(4-ethyl-piperazine-1-carbonyl)-2-methyl-phenyl]-amide
Database identifiers
- PubChem CID
- 59244753
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 921
Related reactions
2 records
Compound notes
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