2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine

C24H24F6N4 — CID 101142711

IUPAC2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine
SMILESCC1(C)CN=C(NN(/C=C/c2ccc(C(F)(F)F)cc2)/C=C/c2ccc(C(F)(F)F)cc2)NC1
InChIInChI=1S/C24H24F6N4/c1-22(2)15-31-21(32-16-22)33-34(13-11-17-3-7-19(8-4-17)23(25,26)27)14-12-18-5-9-20(10-6-18)24(28,29)30/h3-14H,15-16H2,1-2H3,(H2,31,32,33)/b13-11+,14-12+
InChIKeyZEUXDKQFFZKKPG-PHEQNACWSA-N
MW482.47 g/mol
LogP6.16
Rot. Bonds5

About 2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine

2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine (PubChem CID 101142711) has the molecular formula C24H24F6N4 and a molecular weight of 482.47 g/mol. Its IUPAC name is 2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine.

Molecular Properties

Compound Name2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine
PubChem CID101142711
Molecular FormulaC24H24F6N4
Molecular Weight482.47 g/mol
Exact Mass482.19
IUPAC Name2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine
SMILESCC1(C)CN=C(NN(/C=C/c2ccc(C(F)(F)F)cc2)/C=C/c2ccc(C(F)(F)F)cc2)NC1
InChIInChI=1S/C24H24F6N4/c1-22(2)15-31-21(32-16-22)33-34(13-11-17-3-7-19(8-4-17)23(25,26)27)14-12-18-5-9-20(10-6-18)24(28,29)30/h3-14H,15-16H2,1-2H3,(H2,31,32,33)/b13-11+,14-12+
InChIKeyZEUXDKQFFZKKPG-PHEQNACWSA-N
XLogP6.16
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.47
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1,4-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylideneamino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
CID 88634596
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-[2-[2-[1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene]hydrazinyl]-5,5-dimethyl-4,6-dihydropyrimidin-1-yl]ethanone
CID 173442464
N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
CID 130513028
5,5-dimethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborinane
CID 24999076
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197
triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
CID 12996059
1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
CID 145089374
N-(1-cyclopropylethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
CID 130513044
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride
CID 171092805

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine?
The IUPAC name of 2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine (CID 101142711) is 2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine.
What is the SMILES notation for 2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine?
The canonical SMILES for 2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine is CC1(C)CN=C(NN(/C=C/c2ccc(C(F)(F)F)cc2)/C=C/c2ccc(C(F)(F)F)cc2)NC1.
What is the InChIKey of 2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine?
The InChIKey is ZEUXDKQFFZKKPG-PHEQNACWSA-N. The full InChI is InChI=1S/C24H24F6N4/c1-22(2)15-31-21(32-16-22)33-34(13-11-17-3-7-19(8-4-17)23(25,26)27)14-12-18-5-9-20(10-6-18)24(28,29)30/h3-14H,15-16H2,1-2H3,(H2,31,32,33)/b13-11+,14-12+.
What are the key properties of 2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine?
2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine has a molecular weight of 482.47 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]hydrazine is sourced from PubChem (CID 101142711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).