2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one
Basic information
- CAS
131563-03-6- Standard SMILES
Cc1[nH]c(=O)nc2c1C(=O)Nc1ccccc1N2- InChIKey
UPCKLSSECCAMDA-UHFFFAOYSA-N- Molecular formula
- C12H10N4O2
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.08037557
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one
- IUPAC
- 4-methyl-6,11-dihydro-3H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione
- English name
- 2-hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one
- Molecular weight
- 0
Names & synonyms
HMPBD131563-03-62-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-oneRefChem:874244-methyl-6,11-dihydro-3H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-dioneSCHEMBL30504241DTXSID209272654-Methyl-1H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-diol1H-Pyrimido(4,5-b)(1,5)benzodiazepine-2,5-dione, 6,11-dihydro-4-methyl-
Database identifiers
- CAS
131563-03-6- PubChem CID
- 125484
- DTXSID
DTXSID20927265- Nikkaji
- J338.088B
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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