3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol

C8H11F3N4O2 — CID 106776344

IUPAC3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol
SMILESNNc1cc(OCCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)7-13-5(15-12)4-6(14-7)17-3-1-2-16/h4,16H,1-3,12H2,(H,13,14,15)
InChIKeyXKYPTTPARXRXGS-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.54
Rot. Bonds5

About 3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol

3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol (PubChem CID 106776344) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol
PubChem CID106776344
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol
SMILESNNc1cc(OCCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)7-13-5(15-12)4-6(14-7)17-3-1-2-16/h4,16H,1-3,12H2,(H,13,14,15)
InChIKeyXKYPTTPARXRXGS-UHFFFAOYSA-N
XLogP0.54
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.54
H-Bond Donors ≤ 53
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
[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776329
3-[cyclobutyl-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 106776229
[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
CID 80969768
3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80966433
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol
CID 102719752
[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80968844
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
[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-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775663
6-(2-cyclopropylethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106207591

Frequently Asked Questions

What is the IUPAC name of 3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol?
The IUPAC name of 3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol (CID 106776344) is 3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol?
The canonical SMILES for 3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol is NNc1cc(OCCCO)nc(C(F)(F)F)n1.
What is the InChIKey of 3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol?
The InChIKey is XKYPTTPARXRXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c9-8(10,11)7-13-5(15-12)4-6(14-7)17-3-1-2-16/h4,16H,1-3,12H2,(H,13,14,15).
What are the key properties of 3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol?
3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol has a molecular weight of 252.20 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol is sourced from PubChem (CID 106776344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).