[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine

C8H10F4N4O — CID 80914213

IUPAC[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1OCC(F)(F)C(F)F
InChIInChI=1S/C8H10F4N4O/c1-4-5(16-13)14-3-15-6(4)17-2-8(11,12)7(9)10/h3,7H,2,13H2,1H3,(H,14,15,16)
InChIKeyQLCSLLGHPLKTGA-UHFFFAOYSA-N
MW254.19 g/mol
LogP1.35
Rot. Bonds5

About [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine

[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80914213) has the molecular formula C8H10F4N4O and a molecular weight of 254.19 g/mol. Its IUPAC name is [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine
PubChem CID80914213
Molecular FormulaC8H10F4N4O
Molecular Weight254.19 g/mol
Exact Mass254.08
IUPAC Name[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1OCC(F)(F)C(F)F
InChIInChI=1S/C8H10F4N4O/c1-4-5(16-13)14-3-15-6(4)17-2-8(11,12)7(9)10/h3,7H,2,13H2,1H3,(H,14,15,16)
InChIKeyQLCSLLGHPLKTGA-UHFFFAOYSA-N
XLogP1.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
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

[2-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine
CID 81000943
5-bromo-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 114072952
[5-methyl-6-(3-methylbutoxy)pyrimidin-4-yl]hydrazine
CID 80910715
[5-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
CID 80910587
[6-(1-methoxypropan-2-yloxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80925441
5-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
CID 66280887
[5-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80920960
5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80988435
[6-(4-ethylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80915337
[6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80917651
[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924404
[6-(2,2-difluoroethoxy)-5-methoxypyrimidin-4-yl]hydrazine
CID 82009941

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine (CID 80914213) is [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine is Cc1c(NN)ncnc1OCC(F)(F)C(F)F.
What is the InChIKey of [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is QLCSLLGHPLKTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4O/c1-4-5(16-13)14-3-15-6(4)17-2-8(11,12)7(9)10/h3,7H,2,13H2,1H3,(H,14,15,16).
What are the key properties of [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine?
[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 254.19 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80914213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).