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Basic information
- CAS
7292-94-6- Standard SMILES
Nc1ccc(Cn2ccc(=O)[nH]c2=O)cc1- InChIKey
MJALKVWNRXMMQJ-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- 1-(4-Aminobenzyl)pyrimidine-2,4(1h,3h)-dione
- IUPAC
- 1-[(4-aminophenyl)methyl]pyrimidine-2,4-dione
Names & synonyms
7292-94-61-(4-aminobenzyl)pyrimidine-2,4(1h,3h)-dioneNSC110799SCHEMBL193706252,4(1H,3H)-Pyrimidinedione,1-[(4-aminophenyl)methyl]-DTXSID80296686NSC-110799DS-0035371-[(4-Aminophenyl)methyl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
7292-94-6- PubChem CID
- 269602
- DTXSID
DTXSID80296686
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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