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

C11H15F3N4O — CID 114567813

IUPAC[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(OCC2CCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-5-9(17-10(16-8)18-15)19-6-7-3-1-2-4-7/h5,7H,1-4,6,15H2,(H,16,17,18)
InChIKeyYWUZJTPIHOZQQA-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.35
Rot. Bonds4

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

[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567813) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is [4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567813
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(OCC2CCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-5-9(17-10(16-8)18-15)19-6-7-3-1-2-4-7/h5,7H,1-4,6,15H2,(H,16,17,18)
InChIKeyYWUZJTPIHOZQQA-UHFFFAOYSA-N
XLogP2.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.35
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'}

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Related Compounds

[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
N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566995
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
[4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567693
N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 106012981
2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine
CID 114562086
[4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567774
[4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567840
[4-(2-ethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567761
N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567743

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567813) is [4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is NNc1nc(OCC2CCCC2)cc(C(F)(F)F)n1.
What is the InChIKey of [4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is YWUZJTPIHOZQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)8-5-9(17-10(16-8)18-15)19-6-7-3-1-2-4-7/h5,7H,1-4,6,15H2,(H,16,17,18).
What are the key properties of [4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 276.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).