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

C11H15F3N4O — CID 82794558

IUPAC[2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OCCCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)4-1-5-19-9-6-8(18-15)16-10(17-9)7-2-3-7/h6-7H,1-5,15H2,(H,16,17,18)
InChIKeyRFYVYCGAXWLNGM-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.36
Rot. Bonds6

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

[2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine (PubChem CID 82794558) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is [2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
PubChem CID82794558
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name[2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OCCCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)4-1-5-19-9-6-8(18-15)16-10(17-9)7-2-3-7/h6-7H,1-5,15H2,(H,16,17,18)
InChIKeyRFYVYCGAXWLNGM-UHFFFAOYSA-N
XLogP2.36
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine (CID 82794558) is [2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine is NNc1cc(OCCCC(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is RFYVYCGAXWLNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)4-1-5-19-9-6-8(18-15)16-10(17-9)7-2-3-7/h6-7H,1-5,15H2,(H,16,17,18).
What are the key properties of [2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 276.26 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 82794558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).