2-Amino-6-(4-bromophenyl)-4-phenyl-1,4,5,6-tetrahydro-7h-pyrrolo[3,4-d]pyrimidin-7-one
Basic information
- CAS
76628-96-1- Standard SMILES
NC1=NC(c2ccccc2)C2=C(N1)C(=O)N(c1ccc(Br)cc1)C2- InChIKey
GDEXKWLYGFZBDC-UHFFFAOYSA-N- Molecular formula
- C18H15BrN4O
- Average molar mass
- 383.2 g/mol
- Monoisotopic mass
- 382.04292
Names & identifiers
- Preferred name
- 2-Amino-6-(4-bromophenyl)-4-phenyl-1,4,5,6-tetrahydro-7h-pyrrolo[3,4-d]pyrimidin-7-one
- IUPAC
- 2-amino-6-(4-bromophenyl)-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-7-one
Names & synonyms
76628-96-12-Amino-6-(4-bromophenyl)-4-phenyl-5,6-dihydro-1H-pyrrolo[3,4-d]pyrimidin-7(4H)-oneNSC1400552-amino-6-(4-bromophenyl)-4-phenyl-1,4,5,6-tetrahydro-7h-pyrrolo[3,4-d]pyrimidin-7-oneDTXSID00300936NSC-1400557H-Pyrrolo[3,4-d]pyrimidin-7-one,2-amino-6-(4-bromophenyl)-1,4,5,6-tetrahydro-4-phenyl-DS-009223
Database identifiers
- CAS
76628-96-1- PubChem CID
- 284265
- DTXSID
DTXSID00300936
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…