[2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine

C10H10F6N4O — CID 102723719

IUPAC[2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OC(C(F)(F)F)C(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H10F6N4O/c11-9(12,13)8(10(14,15)16)21-6-3-5(20-17)18-7(19-6)4-1-2-4/h3-4,8H,1-2,17H2,(H,18,19,20)
InChIKeyXQXGXQAIZVYYPP-UHFFFAOYSA-N
MW316.21 g/mol
LogP2.51
Rot. Bonds4

About [2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine (PubChem CID 102723719) has the molecular formula C10H10F6N4O and a molecular weight of 316.21 g/mol. Its IUPAC name is [2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine
PubChem CID102723719
Molecular FormulaC10H10F6N4O
Molecular Weight316.21 g/mol
Exact Mass316.08
IUPAC Name[2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OC(C(F)(F)F)C(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H10F6N4O/c11-9(12,13)8(10(14,15)16)21-6-3-5(20-17)18-7(19-6)4-1-2-4/h3-4,8H,1-2,17H2,(H,18,19,20)
InChIKeyXQXGXQAIZVYYPP-UHFFFAOYSA-N
XLogP2.51
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 52.51
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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine (CID 102723719) is [2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine is NNc1cc(OC(C(F)(F)F)C(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine?
The InChIKey is XQXGXQAIZVYYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N4O/c11-9(12,13)8(10(14,15)16)21-6-3-5(20-17)18-7(19-6)4-1-2-4/h3-4,8H,1-2,17H2,(H,18,19,20).
What are the key properties of [2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine has a molecular weight of 316.21 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 102723719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).