Pyrimido(4,5-d)pyrimidine-2,4,5(1H,3H,6H)-trione, 6-(2-fluorophenyl)-1,3,7-trimethyl-
Basic information
- CAS
64467-26-1- Standard SMILES
Cc1nc2c(c(=O)n1-c1ccccc1F)c(=O)n(C)c(=O)n2C- InChIKey
GFAPAWSXLIQKML-UHFFFAOYSA-N- Molecular formula
- C15H13FN4O3
- Average molar mass
- 316.29 g/mol
- Monoisotopic mass
- 316.09716845
Names & identifiers
- Preferred name
- Pyrimido(4,5-d)pyrimidine-2,4,5(1H,3H,6H)-trione, 6-(2-fluorophenyl)-1,3,7-trimethyl-
- IUPAC
- 6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione
Names & synonyms
BRN 1174239Pyrimido(4,5-d)pyrimidine-2,4,5(1H,3H,6H)-trione, 6-(2-fluorophenyl)-1,3,7-trimethyl-64467-26-1DTXSID402147206-(2-Fluorophenyl)-1,3,7-trimethylpyrimido(4,5-d)pyrimidine-2,4,5(1H,3H,6H)-trione6-(2-Fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5(1H,3H,6H)-trioneRefChem:377771DTXCID70137211
Database identifiers
- CAS
64467-26-1- PubChem CID
- 3049072
- DTXSID
DTXSID40214720
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 657
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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