Basic information
- Standard SMILES
NC(=NCC(F)(F)F)Nc1ccnc(CCCCNC(=S)NCC(F)(F)F)n1- InChIKey
LWJZWIPJBQPMSV-UHFFFAOYSA-N- Molecular formula
- C14H19F6N7S
- Average molar mass
- 431.41 g/mol
Names & identifiers
- Preferred name
- 4-[2-(2,2,2-Trifluoroethyl)guanidino]-2-[4-(3-(2,2,2-trifluoroethyl)thioureido)butyl]pyrimidine
- IUPAC
- 1-(2,2,2-trifluoroethyl)-3-[4-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]butyl]thiourea
Names & synonyms
4-[2-(2,2,2-trifluoroethyl)guanidino]-2-[4-(3-(2,2,2-trifluoroethyl)thioureido)butyl]pyrimidineSCHEMBL10682724SCHEMBL10682733
Database identifiers
- PubChem CID
- 21298875
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 511
Related reactions
3 records
Compound notes
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