1,3-Dibenzyl-5-[bis(2-fluoroethyl)amino]pyrimidine-2,4(1h,3h)-dione
Basic information
- CAS
16869-88-8- Standard SMILES
O=c1c(N(CCF)CCF)cn(Cc2ccccc2)c(=O)n1Cc1ccccc1- InChIKey
XFFPNUSQYLWCTO-UHFFFAOYSA-N- Molecular formula
- C22H23F2N3O2
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.17583331
Names & identifiers
- Preferred name
- 1,3-Dibenzyl-5-[bis(2-fluoroethyl)amino]pyrimidine-2,4(1h,3h)-dione
- IUPAC
- 1,3-dibenzyl-5-[bis(2-fluoroethyl)amino]pyrimidine-2,4-dione
Names & synonyms
16869-88-81,3-dibenzyl-5-[bis(2-fluoroethyl)amino]pyrimidine-2,4(1h,3h)-dioneNSC100785DTXSID50937519NSC-100785
Database identifiers
- CAS
16869-88-8- PubChem CID
- 265018
- DTXSID
DTXSID50937519
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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