N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H8F5N5 — CID 106775940

IUPACN-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(Nc2ccc(F)cc2F)nc(C(F)(F)F)n1
InChIInChI=1S/C11H8F5N5/c12-5-1-2-7(6(13)3-5)18-8-4-9(21-17)20-10(19-8)11(14,15)16/h1-4H,17H2,(H2,18,19,20,21)
InChIKeyIWMGYOBEYDRZSV-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.80
Rot. Bonds3

About N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775940) has the molecular formula C11H8F5N5 and a molecular weight of 305.21 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775940
Molecular FormulaC11H8F5N5
Molecular Weight305.21 g/mol
Exact Mass305.07
IUPAC NameN-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(Nc2ccc(F)cc2F)nc(C(F)(F)F)n1
InChIInChI=1S/C11H8F5N5/c12-5-1-2-7(6(13)3-5)18-8-4-9(21-17)20-10(19-8)11(14,15)16/h1-4H,17H2,(H2,18,19,20,21)
InChIKeyIWMGYOBEYDRZSV-UHFFFAOYSA-N
XLogP2.80
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.80
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

2-Amino-4-phenylamino-6-methylpyrimidine
CID 608203
4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 44526629
N-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-amine
CID 734473
2-Benzyl-4-hydrazinyl-6-methylpyrimidine
CID 915141
2-(2,6-dimethyl-4-pyrimidinyl)-2-methyl-N-phenylhydrazinecarbothioamide
CID 852667
N~4~-(4-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 2766305
N-(2,3-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 166630239
N-(2,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 166636582
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4901481
Guanidine, 1-(4,6-dimethyl-2-pyrimidinyl)-3-(p-fluorophenyl)-
CID 5761040
Cambridge id 5804396
CID 2869752
N-(2,4-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 7424266

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775940) is N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is NNc1cc(Nc2ccc(F)cc2F)nc(C(F)(F)F)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IWMGYOBEYDRZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5N5/c12-5-1-2-7(6(13)3-5)18-8-4-9(21-17)20-10(19-8)11(14,15)16/h1-4H,17H2,(H2,18,19,20,21).
What are the key properties of N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 305.21 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).