Basic information
- CAS
14320-99-1- Standard SMILES
Cn1c2c(c(=O)n(C)c1=O)NB(c1ccccc1)N2- InChIKey
QDJDRRPPPKIRLE-UHFFFAOYSA-N- Molecular formula
- C12H13BN4O2
- Average molar mass
- 256.07 g/mol
- Monoisotopic mass
- 256.1131558
Names & identifiers
- Preferred name
- 1H-1,3,2-Diazaborolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 2,3-dihydro-4,6-dimethyl-2-phenyl-
- IUPAC
- 4,6-dimethyl-2-phenyl-1,3-dihydro-[1,3,2]diazaborolo[4,5-d]pyrimidine-5,7-dione
Names & synonyms
BRN 05492131H-1,3,2-Diazaborolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 2,3-dihydro-4,6-dimethyl-2-phenyl-14320-99-1DTXSID101623454,6-Dimethyl-5,7-dioxo-2,3,4,5,6,7-hexahydro-2-phenyl-1H-1,3,2-diazaborolo(4,5-d)pyrimidineRefChem:237098DTXCID20848364,6-Dimethyl-2-phenyl-2,3-dihydro-1H-[1,3,2]diazaborolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Database identifiers
- CAS
14320-99-1- PubChem CID
- 203403
- DTXSID
DTXSID10162345
Properties
Computed structural properties
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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