Basic information
- CAS
78790-68-8- Standard SMILES
Cn1c(=O)c2c3cc(O)ccc3[nH]c2n(C)c1=O- InChIKey
PSDLPGNNYDZCRH-UHFFFAOYSA-N- Molecular formula
- C12H11N3O3
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.08004122
Names & identifiers
- Preferred name
- 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione
- IUPAC
- 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione
Names & synonyms
NSC35514478790-68-8DTXSID60320110NSC-3551446-Hydroxy-1,3-dimethyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione6-hydroxy-1,3-dimethyl-2,3,4,9-tetrahyd-ro-1h-pyrimido[4,5-b]indole-2,4-dione
Database identifiers
- CAS
78790-68-8- PubChem CID
- 337372
- DTXSID
DTXSID60320110
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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