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

C10H13F3N4O2 — CID 114567774

IUPAC[4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(OC2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)7-5-8(16-9(15-7)17-14)19-6-1-3-18-4-2-6/h5-6H,1-4,14H2,(H,15,16,17)
InChIKeyJGJOUDJXOUCVNT-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.34
Rot. Bonds3

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

[4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567774) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is [4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567774
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name[4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(OC2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)7-5-8(16-9(15-7)17-14)19-6-1-3-18-4-2-6/h5-6H,1-4,14H2,(H,15,16,17)
InChIKeyJGJOUDJXOUCVNT-UHFFFAOYSA-N
XLogP1.34
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
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

[4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567840
[4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567693
[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567813
[4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567815
[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567822
2-chloro-4-cyclopentyloxy-6-(trifluoromethyl)pyrimidine
CID 114561964
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567743
4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566211
[6-(oxan-4-yloxy)pyrimidin-4-yl]hydrazine
CID 80920018
(4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine
CID 80920357
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567774) is [4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is NNc1nc(OC2CCOCC2)cc(C(F)(F)F)n1.
What is the InChIKey of [4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is JGJOUDJXOUCVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c11-10(12,13)7-5-8(16-9(15-7)17-14)19-6-1-3-18-4-2-6/h5-6H,1-4,14H2,(H,15,16,17).
What are the key properties of [4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 278.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).