2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol

C7H9F3N4O2 — CID 106776341

IUPAC2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
SMILESNNc1cc(OCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)6-12-4(14-11)3-5(13-6)16-2-1-15/h3,15H,1-2,11H2,(H,12,13,14)
InChIKeyDOAMBMHHGNMAMJ-UHFFFAOYSA-N
MW238.17 g/mol
LogP0.15
Rot. Bonds4

About 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol

2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol (PubChem CID 106776341) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
PubChem CID106776341
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC Name2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
SMILESNNc1cc(OCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)6-12-4(14-11)3-5(13-6)16-2-1-15/h3,15H,1-2,11H2,(H,12,13,14)
InChIKeyDOAMBMHHGNMAMJ-UHFFFAOYSA-N
XLogP0.15
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol
CID 106776344
[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776329
[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
CID 80969768
[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80968844
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
3-[cyclobutyl-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 106776229
[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776501
[6-(1-ethoxypropan-2-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776499
6-(2-cyclopropylethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106207591
[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776400
6-hydrazinyl-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775982
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384

Frequently Asked Questions

What is the IUPAC name of 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol?
The IUPAC name of 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol (CID 106776341) is 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol?
The canonical SMILES for 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol is NNc1cc(OCCO)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol?
The InChIKey is DOAMBMHHGNMAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c8-7(9,10)6-12-4(14-11)3-5(13-6)16-2-1-15/h3,15H,1-2,11H2,(H,12,13,14).
What are the key properties of 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol?
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol has a molecular weight of 238.17 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol is sourced from PubChem (CID 106776341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).