6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
Basic information
- CAS
28484-82-4- Standard SMILES
O=c1cc(NCCCCc2ccccc2)[nH]c(=O)[nH]1- InChIKey
XSLOANVLFKOGRT-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.13207679
Names & identifiers
- Preferred name
- 6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
- IUPAC
- 6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
Names & synonyms
CHEMBL8853628484-82-46-(4-phenylbutylamino)-1H-pyrimidine-2,4-dioneNSC212282SCHEMBL30716633DTXSID50309555BDBM50089889NSC-2122826-(4-Phenyl-butylamino)-1H-pyrimidine-2,4-dione6-[(4-Phenylbutyl)amino]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
28484-82-4- PubChem CID
- 309844
- DTXSID
DTXSID50309555- ChEMBL
CHEMBL88536- Nikkaji
- J1.391.986K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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