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Basic information
- Standard SMILES
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C(=O)Nc2ccc(-c3ccncc3)cc2)cn1- InChIKey
BZDYTOHWBJAMEF-UHFFFAOYSA-N- Molecular formula
- C26H25N9O2
- Average molar mass
- 495.5 g/mol
- Monoisotopic mass
- 495.21312107
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 (4-pyridin-4-yl-phenyl)-amide
- IUPAC
- 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(4-pyridin-4-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
Names & synonyms
SCHEMBL2377277BZDYTOHWBJAMEF-UHFFFAOYSA-N4-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (4-pyridin-4-yl-phenyl)-amide
Database identifiers
- PubChem CID
- 59244382
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 746
Related reactions
1 records
Compound notes
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