N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

C12H11F4N5 — CID 114567318

IUPACN-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C(F)(F)F)nc(NN)n2)c(F)c1
InChIInChI=1S/C12H11F4N5/c1-6-2-3-8(7(13)4-6)18-10-5-9(12(14,15)16)19-11(20-10)21-17/h2-5H,17H2,1H3,(H2,18,19,20,21)
InChIKeyXNQIXGSZFMZWEB-UHFFFAOYSA-N
MW301.25 g/mol
LogP2.97
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114567318) has the molecular formula C12H11F4N5 and a molecular weight of 301.25 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114567318
Molecular FormulaC12H11F4N5
Molecular Weight301.25 g/mol
Exact Mass301.10
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C(F)(F)F)nc(NN)n2)c(F)c1
InChIInChI=1S/C12H11F4N5/c1-6-2-3-8(7(13)4-6)18-10-5-9(12(14,15)16)19-11(20-10)21-17/h2-5H,17H2,1H3,(H2,18,19,20,21)
InChIKeyXNQIXGSZFMZWEB-UHFFFAOYSA-N
XLogP2.97
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 52.97
H-Bond Donors ≤ 53
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

4-N-(2,4-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563686
N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567317
6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766917
2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80916377
2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567408
2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694892
[4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567852
2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,1-dimethylhydrazine
CID 114567551
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775814
4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564272
2-hydrazinyl-N-(2-methylcyclopropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567178
4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 114567424

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 114567318) is N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(Nc2cc(C(F)(F)F)nc(NN)n2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XNQIXGSZFMZWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N5/c1-6-2-3-8(7(13)4-6)18-10-5-9(12(14,15)16)19-11(20-10)21-17/h2-5H,17H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 301.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114567318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).