Basic information
- Standard SMILES
O=c1c2[nH]c(Cl)nc2n(CC2CC2)c(=O)n1CC1CC1- InChIKey
QZMLAWVVWTZRLF-UHFFFAOYSA-N- Molecular formula
- C13H15ClN4O2
- Average molar mass
- 294.74 g/mol
Names & identifiers
- Preferred name
- 1,3-Di-cyclopropylmethyl-8-chloroxanthine
- IUPAC
- 8-chloro-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione
Names & synonyms
SCHEMBL7026234QZMLAWVVWTZRLF-UHFFFAOYSA-N1,3-di-cyclopropylmethyl-8-chloroxanthine1,3-Di-cyclopropylmethyl-8-chloro Xanthine1,3-di-cyclopropylmethyl-8-chloro-xanthine1,3-di-cyclo-propylmethyl-8-chloro xanthine
Database identifiers
- PubChem CID
- 9814657
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 452
Related reactions
15 records
Compound notes
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