Basic information
- Standard SMILES
CC(C)N1CC(=O)Nc2cnc(Cl)nc21- InChIKey
AVSCTQHTDGAPCN-UHFFFAOYSA-N- Molecular formula
- C9H11ClN4O
- Average molar mass
- 226.66 g/mol
Names & identifiers
- Preferred name
- 2-chloro-8-isopropyl-7,8-dihydro-5H-pteridin-6-one
- IUPAC
- 2-chloro-8-propan-2-yl-5,7-dihydropteridin-6-one
Names & synonyms
SCHEMBL2868818SCHEMBL28323633AVSCTQHTDGAPCN-UHFFFAOYSA-N2-chloro-8-isopropyl-7,8-dihydro-5H-pteridin-6-one
Database identifiers
- PubChem CID
- 59286170
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Related reactions
3 records
Compound notes
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