Basic information
- CAS
111601-18-4- Standard SMILES
Cc1c(C)n(C(C)c2ccccc2)c2nc(N)nc(N)c12- InChIKey
ZWUPHROEVLZLJU-UHFFFAOYSA-N- Molecular formula
- C16H19N5
- Average molar mass
- 281.36 g/mol
- Monoisotopic mass
- 281.16404563
Names & identifiers
- Preferred name
- 5,6-Dimethyl-7-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
- IUPAC
- 5,6-dimethyl-7-(1-phenylethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
Names & synonyms
DTXSID6011535275,6-Dimethyl-7-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine111601-18-4
Database identifiers
- CAS
111601-18-4- PubChem CID
- 13640530
- DTXSID
DTXSID601153527
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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