Basic information
- CAS
19188-56-8- Standard SMILES
O=c1cc(NCCc2ccccc2)[nH]c(=O)[nH]1- InChIKey
UILOIBQMKOTSBR-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- 6-(2-phenylethylamino)-1H-pyrimidine-2,4-dione
- IUPAC
- 6-(2-phenylethylamino)-1H-pyrimidine-2,4-dione
Names & synonyms
19188-56-8DTXSID203089746-(2-phenylethylamino)-1H-pyrimidine-2,4-dioneRefChem:1073678DTXCID80260100CHEMBL3145756-(phenethylamino)pyrimidine-2,4(1H,3H)-dioneNSC2105086-(phenylethylamino)uracilBDBM50089887AKOS026714220NSC-210508
Show more names
6-Phenethylamino-1H-pyrimidine-2,4-dione6-[(2-Phenylethyl)amino]pyrimidine-2,4(1H,3H)-dioneF1967-3308
Database identifiers
- CAS
19188-56-8- PubChem CID
- 308653
- DTXSID
DTXSID20308974- ChEMBL
CHEMBL314575- Nikkaji
- J1.391.984D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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