Basic information
- Standard SMILES
CC(C)n1cnc2[nH]ccc2c1=O- InChIKey
JMEWBNUEMSLIPO-UHFFFAOYSA-N- Molecular formula
- C9H11N3O
- Average molar mass
- 177.2 g/mol
Names & identifiers
- Preferred name
- 3-Isopropyl-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-one
Names & synonyms
SCHEMBL7014104JMEWBNUEMSLIPO-UHFFFAOYSA-N3-isopropyl-7H-pyrrolo[2,3-d]-pyrimidin-4-one3-Isopropyl-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- PubChem CID
- 18919040
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Related reactions
4 records
Compound notes
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