Basic information
- CAS
57436-34-7- Standard SMILES
Cc1nc(-c2ccccc2)c2c(C)[nH]c(-c3ccccc3)c2n1- InChIKey
DKXOFAXYUKRERR-UHFFFAOYSA-N- Molecular formula
- C20H17N3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.14224756
Names & identifiers
- Preferred name
- 6H-Pyrrolo(3,4-d)pyrimidine, 2,5-dimethyl-4,7-diphenyl-
- IUPAC
- 2,5-dimethyl-4,7-diphenyl-6H-pyrrolo[3,4-d]pyrimidine
Names & synonyms
6H-Pyrrolo(3,4-d)pyrimidine, 2,5-dimethyl-4,7-diphenyl-BRN 061974857436-34-72,5-dimethyl-4,7-diphenyl-6h-pyrrolo[3,4-d]pyrimidine2,5-Dimethyl-4,7-diphenyl-6H-pyrrolo(3,4-d)pyrimidineDTXSID10206051NSC 282765RefChem:309801DTXCID10128542NSC282765NSC-282765DS-009105
Database identifiers
- CAS
57436-34-7- PubChem CID
- 100294
- DTXSID
DTXSID10206051
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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