2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine

C8H8F7N5 — CID 114169698

IUPAC2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(NCC(F)(F)C(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C8H8F7N5/c9-5(10)7(11,12)2-17-4-1-3(8(13,14)15)18-6(19-4)20-16/h1,5H,2,16H2,(H2,17,18,19,20)
InChIKeyFMEYGGAOANGKHA-UHFFFAOYSA-N
MW307.17 g/mol
LogP2.09
Rot. Bonds5

About 2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114169698) has the molecular formula C8H8F7N5 and a molecular weight of 307.17 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114169698
Molecular FormulaC8H8F7N5
Molecular Weight307.17 g/mol
Exact Mass307.07
IUPAC Name2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(NCC(F)(F)C(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C8H8F7N5/c9-5(10)7(11,12)2-17-4-1-3(8(13,14)15)18-6(19-4)20-16/h1,5H,2,16H2,(H2,17,18,19,20)
InChIKeyFMEYGGAOANGKHA-UHFFFAOYSA-N
XLogP2.09
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 52.09
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567304
2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567470
6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106294493
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114567616
6-hydrazinyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 106294412
2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567594
2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567205
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114567617
N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566995
N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043678
N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine
CID 114567188
2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,1-dimethylhydrazine
CID 114567551

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114169698) is 2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine is NNc1nc(NCC(F)(F)C(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of 2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FMEYGGAOANGKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7N5/c9-5(10)7(11,12)2-17-4-1-3(8(13,14)15)18-6(19-4)20-16/h1,5H,2,16H2,(H2,17,18,19,20).
What are the key properties of 2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 307.17 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114169698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).