[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C8H11F3N4O2 — CID 106776329

IUPAC[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCOCCOc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c1-16-2-3-17-6-4-5(15-12)13-7(14-6)8(9,10)11/h4H,2-3,12H2,1H3,(H,13,14,15)
InChIKeyPKTFVXFYLZWLSJ-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.81
Rot. Bonds5

About [6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776329) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is [6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776329
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCOCCOc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c1-16-2-3-17-6-4-5(15-12)13-7(14-6)8(9,10)11/h4H,2-3,12H2,1H3,(H,13,14,15)
InChIKeyPKTFVXFYLZWLSJ-UHFFFAOYSA-N
XLogP0.81
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 106776341
3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol
CID 106776344
[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
CID 80969768
6-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775663
[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80968844
6-hydrazinyl-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775982
N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 106775656
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
[6-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776499
[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776501
2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine
CID 145361055
6-(2-cyclopropylethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106207591

Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776329) is [6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is COCCOc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is PKTFVXFYLZWLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-16-2-3-17-6-4-5(15-12)13-7(14-6)8(9,10)11/h4H,2-3,12H2,1H3,(H,13,14,15).
What are the key properties of [6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 252.20 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).