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2-(2-{1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-ylidene}hydrazinyl)-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine hydroiodide (1:1)

HCID 165367706
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Basic information

CAS
71731-61-8
Standard SMILES
CC1(C)CN=C(NN=C(C=Cc2ccc(C(F)(F)F)cc2)C=Cc2ccc(C(F)(F)F)cc2)NC1.I
InChIKey
QJLBMEJDBCLCHY-UHFFFAOYSA-N
Molecular formula
C25H25F6IN4
Average molar mass
622.4 g/mol
Monoisotopic mass
622.10281

Names & identifiers

Preferred name
2-(2-{1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-ylidene}hydrazinyl)-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine hydroiodide (1:1)
IUPAC
N-[1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylideneamino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine;hydroiodide

Names & synonyms

DTXSID108608342-(2-{1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-ylidene}hydrazinyl)-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine hydroiodide (1:1)71731-61-8

Database identifiers

CAS
71731-61-8
PubChem CID
165367706
DTXSID
DTXSID10860834

Properties

Computed structural properties

Topological polar surface area
48.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
36
Formal charge
0
Complexity
763

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