Basic information
- Standard SMILES
Cc1c(N)cccc1C(=O)c1cn(C(C)C)c2ncnc(N)c12- InChIKey
FNJFPPUNEPZPOF-UHFFFAOYSA-N- Molecular formula
- C17H19N5O
- Average molar mass
- 309.4 g/mol
Names & identifiers
- Preferred name
- (4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-amino-2-methyl-phenyl)methanone
- IUPAC
- (3-amino-2-methylphenyl)-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)methanone
Names & synonyms
SCHEMBL1940764FNJFPPUNEPZPOF-UHFFFAOYSA-N(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-amino-2-methyl-phenyl)-methanone(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-amino-2-methyl-phenyl)methanone
Database identifiers
- PubChem CID
- 67219452
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Related reactions
2 records
Compound notes
Loading…