6-m-Tolylamino-1H-pyrimidine-2,4-dione
Basic information
- CAS
21332-93-4- Standard SMILES
Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1- InChIKey
STFBFOVWNBTISN-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- 6-m-Tolylamino-1H-pyrimidine-2,4-dione
- IUPAC
- 6-(3-methylanilino)-1H-pyrimidine-2,4-dione
Names & synonyms
21332-93-46-m-Tolylamino-1H-pyrimidine-2,4-dioneCHEMBL520186-[(3-methylphenyl)amino]-2,4(1H,3H)-pyrimidinedioneNSC210495CBMicro_0206646-(3-methylanilino)-1H-pyrimidine-2,4-dioneOprea1_163967Oprea1_379286MLS000553974DTXSID90308966HMS1671A12
Show more names
HMS2509F17CCG-8525BDBM50028345AKOS000545157NSC-210495WAY-298654SMR000171483BIM-0020770.P001
Database identifiers
- CAS
21332-93-4- PubChem CID
- 308644
- DTXSID
DTXSID90308966- ChEMBL
CHEMBL52018
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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