Basic information
- Standard SMILES
CCC1C(=O)N(C)c2cnc(Cl)nc2N1C(C)C- InChIKey
RKXHCGYXHHPYHQ-UHFFFAOYSA-N- Molecular formula
- C12H17ClN4O
- Average molar mass
- 268.74 g/mol
- Monoisotopic mass
- 268.1090889
Names & identifiers
- Preferred name
- 2-chloro-7-ethyl-8-isopropyl-5-methyl-7H-pteridin-6-one
- IUPAC
- 2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
Names & synonyms
SCHEMBL20289452-chloro-7-ethyl-8-isopropyl-5-methyl-7H-pteridin-6-oneAKOS032961431SB17644
Database identifiers
- PubChem CID
- 53400871
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Related reactions
9 records
Compound notes
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