[2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine

C9H11F3N4O — CID 80969563

IUPAC[2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)4-17-7-3-6(16-13)14-8(15-7)5-1-2-5/h3,5H,1-2,4,13H2,(H,14,15,16)
InChIKeyCXHUCCLEJLRUEP-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.58
Rot. Bonds4

About [2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80969563) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is [2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
PubChem CID80969563
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name[2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)4-17-7-3-6(16-13)14-8(15-7)5-1-2-5/h3,5H,1-2,4,13H2,(H,14,15,16)
InChIKeyCXHUCCLEJLRUEP-UHFFFAOYSA-N
XLogP1.58
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine (CID 80969563) is [2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine is NNc1cc(OCC(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is CXHUCCLEJLRUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)4-17-7-3-6(16-13)14-8(15-7)5-1-2-5/h3,5H,1-2,4,13H2,(H,14,15,16).
What are the key properties of [2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 248.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80969563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).