1H-1,3,2-Diazaborolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 2,3-dihydro-2-phenyl-1,3,4,6-tetramethyl-
Basic information
- CAS
14321-01-8- Standard SMILES
CN1B(c2ccccc2)N(C)c2c1c(=O)n(C)c(=O)n2C- InChIKey
WOKNDINWSUVFTO-UHFFFAOYSA-N- Molecular formula
- C14H17BN4O2
- Average molar mass
- 284.12 g/mol
- Monoisotopic mass
- 284.144456
Names & identifiers
- Preferred name
- 1H-1,3,2-Diazaborolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 2,3-dihydro-2-phenyl-1,3,4,6-tetramethyl-
- IUPAC
- 1,3,4,6-tetramethyl-2-phenyl-[1,3,2]diazaborolo[4,5-d]pyrimidine-5,7-dione
Names & synonyms
BRN 05645531H-1,3,2-Diazaborolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 2,3-dihydro-2-phenyl-1,3,4,6-tetramethyl-14321-01-8DTXSID30162347RefChem:237097DTXCID20848381,3,4,6-Tetramethyl-2-phenyl-2,3-dihydro-1H-[1,3,2]diazaborolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Database identifiers
- CAS
14321-01-8- PubChem CID
- 203404
- DTXSID
DTXSID30162347
Properties
Computed structural properties
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 515
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Related reactions
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Compound notes
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