Completing data — usually done within a minute
Basic information
- CAS
848217-05-0- Standard SMILES
Cn1c(=O)c2c(-c3ccccc3)n(CCO)cc2n(C)c1=O- InChIKey
TTYPOZYUBKXWCZ-UHFFFAOYSA-N- Molecular formula
- C16H17N3O3
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.1269914
Names & identifiers
- Preferred name
- 6-(2-Hydroxyethyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
- IUPAC
- 6-(2-hydroxyethyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
Names & synonyms
6-(2-hydroxyethyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione848217-05-06-(2-Hydroxyethyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo(3,4-d)pyrimidine-2,4(3H,6H)-dioneRefChem:306513SCHEMBL15796480TTYPOZYUBKXWCZ-UHFFFAOYSA-NDTXSID201127724STL345542AKOS022111250
Database identifiers
- CAS
848217-05-0- PubChem CID
- 945353
- DTXSID
DTXSID201127724
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Related reactions
2 records
Compound notes
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