6H-Pyrrolo(3,4-d)pyrimidin-2(1H)-one, 4,7-diphenyl-1-isopropyl-5-methyl-
Basic information
- CAS
57436-15-4- Standard SMILES
Cc1[nH]c(-c2ccccc2)c2c1c(-c1ccccc1)nc(=O)n2C(C)C- InChIKey
KBMKYARFLGIVAV-UHFFFAOYSA-N- Molecular formula
- C22H21N3O
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.1684623
Names & identifiers
- Preferred name
- 6H-Pyrrolo(3,4-d)pyrimidin-2(1H)-one, 4,7-diphenyl-1-isopropyl-5-methyl-
- IUPAC
- 5-methyl-4,7-diphenyl-1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-2-one
Names & synonyms
BRN 06272476H-Pyrrolo(3,4-d)pyrimidin-2(1H)-one, 4,7-diphenyl-1-isopropyl-5-methyl-57436-15-4DTXSID802060434,7-Diphenyl-1-isopropyl-5-methyl-6H-pyrrolo(3,4-d)pyrimidin-2(1H)-oneRefChem:309796DTXCID801285345-Methyl-4,7-diphenyl-1-(propan-2-yl)-1,6-dihydro-2H-pyrrolo[3,4-d]pyrimidin-2-one
Database identifiers
- CAS
57436-15-4- PubChem CID
- 3044516
- DTXSID
DTXSID80206043- Nikkaji
- J72.986H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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