5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Basic information
- CAS
427-16-7- Standard SMILES
CCC1(c2cccc(N)c2)C(=O)NC(=O)NC1=O- InChIKey
QPSCDPWJQSUAHJ-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.09569129
Names & identifiers
- Preferred name
- 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-(3-aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Names & synonyms
427-16-75-(3-aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(3-aminophenyl)-5-ethyl-BARBITURIC ACID,5-ETHYL,5-(3-ANILINE)SCHEMBL11784856DTXSID203484565-ethyl-5-m-aminophenylbarbituric acid5-(3-aminophenyl)-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trioneInChI=1/C12H13N3O3/c1-2-12(7-4-3-5-8(13)6-7)9(16)14-11(18)15-10(12)17/h3-6H,2,13H2,1H3,(H2,14,15,16,17,18
Database identifiers
- CAS
427-16-7- PubChem CID
- 637569
- DTXSID
DTXSID20348456- Nikkaji
- J917.621G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
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Related reactions
1 records
Compound notes
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