N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

C12H11F4N5 — CID 114567157

IUPACN-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1ccc(F)cc1)c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C12H11F4N5/c1-21(8-4-2-7(13)3-5-8)10-6-9(12(14,15)16)18-11(19-10)20-17/h2-6H,17H2,1H3,(H,18,19,20)
InChIKeyVTAPZWIGKHQANE-UHFFFAOYSA-N
MW301.25 g/mol
LogP2.69
Rot. Bonds3

About N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114567157) has the molecular formula C12H11F4N5 and a molecular weight of 301.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114567157
Molecular FormulaC12H11F4N5
Molecular Weight301.25 g/mol
Exact Mass301.10
IUPAC NameN-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1ccc(F)cc1)c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C12H11F4N5/c1-21(8-4-2-7(13)3-5-8)10-6-9(12(14,15)16)18-11(19-10)20-17/h2-6H,17H2,1H3,(H,18,19,20)
InChIKeyVTAPZWIGKHQANE-UHFFFAOYSA-N
XLogP2.69
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 114567175
[4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567844
2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,1-dimethylhydrazine
CID 114567551
2-hydrazinyl-N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566951
N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566985
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567034
N-(4-fluorophenyl)-6-hydrazinyl-N-methylpyridin-2-amine
CID 80908534
2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 13353530
6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 80735308
4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564803
N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
CID 80947636

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 114567157) is N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is CN(c1ccc(F)cc1)c1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VTAPZWIGKHQANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N5/c1-21(8-4-2-7(13)3-5-8)10-6-9(12(14,15)16)18-11(19-10)20-17/h2-6H,17H2,1H3,(H,18,19,20).
What are the key properties of N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 301.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114567157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).