Basic information
- Standard SMILES
CC(C)n1cc(C(=O)c2cccc(N)n2)c2c(N)ncnc21- InChIKey
QJNBLYKDVVTQGV-UHFFFAOYSA-N- Molecular formula
- C15H16N6O
- Average molar mass
- 296.33 g/mol
- Monoisotopic mass
- 296.13855916
Names & identifiers
- Preferred name
- (4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(6-amino-pyridin-2-yl)-methanone
- IUPAC
- (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-(6-amino-2-pyridinyl)methanone
Names & synonyms
SCHEMBL4090394QJNBLYKDVVTQGV-UHFFFAOYSA-N(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(6-amino-pyridin-2-yl)-methanone
Database identifiers
- PubChem CID
- 68908256
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Related reactions
5 records
Compound notes
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