2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide

C18H11F6N5O — CID 24957539

IUPAC2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
SMILESO=C(NNc1nc(C(F)(F)F)nc(-c2ccncc2)c1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H11F6N5O/c19-17(20,21)15-26-13(11-6-8-25-9-7-11)12(10-4-2-1-3-5-10)14(27-15)28-29-16(30)18(22,23)24/h1-9H,(H,29,30)(H,26,27,28)
InChIKeyJYDQPOUCKILMQW-UHFFFAOYSA-N
MW427.31 g/mol
LogP4.23
Rot. Bonds4

About 2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide

2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide (PubChem CID 24957539) has the molecular formula C18H11F6N5O and a molecular weight of 427.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
PubChem CID24957539
Molecular FormulaC18H11F6N5O
Molecular Weight427.31 g/mol
Exact Mass427.09
IUPAC Name2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
SMILESO=C(NNc1nc(C(F)(F)F)nc(-c2ccncc2)c1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H11F6N5O/c19-17(20,21)15-26-13(11-6-8-25-9-7-11)12(10-4-2-1-3-5-10)14(27-15)28-29-16(30)18(22,23)24/h1-9H,(H,29,30)(H,26,27,28)
InChIKeyJYDQPOUCKILMQW-UHFFFAOYSA-N
XLogP4.23
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(4-methylperoxysulfanylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
CID 59641747
[6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 10319265
(3Z)-4,4,4-trifluoro-3-[[6-(4-methylsulfanylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazinylidene]-1-phenylbutan-1-one
CID 143507562
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 102130644
N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide
CID 571551
4-[6-chloro-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 87332875
2,2,2-trifluoro-N-[3-[4-phenyl-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide
CID 87333021
sulfanyl 4-[6-azido-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]benzoate
CID 173494159
3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid
CID 139651637
1-(2,3-dihydroxypropyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea
CID 54327090
1-(4-methoxyphenyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea
CID 59081814

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide (CID 24957539) is 2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide is O=C(NNc1nc(C(F)(F)F)nc(-c2ccncc2)c1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
The InChIKey is JYDQPOUCKILMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N5O/c19-17(20,21)15-26-13(11-6-8-25-9-7-11)12(10-4-2-1-3-5-10)14(27-15)28-29-16(30)18(22,23)24/h1-9H,(H,29,30)(H,26,27,28).
What are the key properties of 2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide has a molecular weight of 427.31 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-[5-phenyl-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide is sourced from PubChem (CID 24957539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).