Basic information
- CAS
1610706-83-6- Standard SMILES
CCn1c(C(F)F)nc2c(N[C@H]3CCNC3)ncnc21- InChIKey
IKVAARHJPRCXKH-ZETCQYMHSA-N- Molecular formula
- C12H16F2N6
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.14045086
Names & identifiers
- Preferred name
- (S)-8-(difluoromethyl)-9-ethyl-N-(pyrrolidin-3-yl)-9H-purin-6-amine
- IUPAC
- 8-(difluoromethyl)-9-ethyl-N-[(3S)-pyrrolidin-3-yl]purin-6-amine
Names & synonyms
(S)-8-(difluoromethyl)-9-ethyl-N-(pyrrolidin-3-yl)-9H-purin-6-amineSCHEMBL15719194DTXSID8011691088-(Difluoromethyl)-9-ethyl-N-(3S)-3-pyrrolidinyl-9H-purin-6-amine8-(Difluoromethyl)-9-ethyl-N-[(3S)-pyrrolidin-3-yl]-9H-purin-6-amine1610706-83-6
Database identifiers
- CAS
1610706-83-6- PubChem CID
- 90158366
- DTXSID
DTXSID801169108
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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