Basic information
- Standard SMILES
CC=C(CC)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C- InChIKey
KHTNCESWBRAQCL-UHFFFAOYSA-N- Molecular formula
- C23H29N3
- Average molar mass
- 347.5 g/mol
Names & identifiers
- Preferred name
- 4-(1-Ethyl-propenyl)-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 2,5,6-trimethyl-4-pent-2-en-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine
Names & synonyms
SCHEMBL6773802KHTNCESWBRAQCL-UHFFFAOYSA-N4-(1-Ethyl-propenyl)-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
Database identifiers
- PubChem CID
- 69892237
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
2 records
Compound notes
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