Basic information
- CAS
57436-35-8- Standard SMILES
Cc1nc(C)c2c(C)[nH]c(-c3ccccc3)c2n1- InChIKey
ZTTHWMSNQZMTTG-UHFFFAOYSA-N- Molecular formula
- C15H15N3
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.12659749
Names & identifiers
- Preferred name
- 6H-Pyrrolo(3,4-d)pyrimidine, 2,4,5-trimethyl-7-phenyl-
- IUPAC
- 2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-d]pyrimidine
Names & synonyms
6H-Pyrrolo(3,4-d)pyrimidine, 2,4,5-trimethyl-7-phenyl-BRN 061493557436-35-82,4,5-Trimethyl-7-phenyl-6H-pyrrolo(3,4-d)pyrimidine2,4,5-trimethyl-7-phenyl-6h-pyrrolo[3,4-d]pyrimidineDTXSID70206052NSC 282764RefChem:309800DTXCID70128543NSC282764NSC-282764DS-009104
Database identifiers
- CAS
57436-35-8- PubChem CID
- 100293
- DTXSID
DTXSID70206052
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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