[2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine

C10H11F5N4O — CID 80979868

IUPAC[2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OCC(F)(F)C(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H11F5N4O/c11-9(12,10(13,14)15)4-20-7-3-6(19-16)17-8(18-7)5-1-2-5/h3,5H,1-2,4,16H2,(H,17,18,19)
InChIKeyFZVRGACWGRXOKM-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.22
Rot. Bonds5

About [2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80979868) has the molecular formula C10H11F5N4O and a molecular weight of 298.22 g/mol. Its IUPAC name is [2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine
PubChem CID80979868
Molecular FormulaC10H11F5N4O
Molecular Weight298.22 g/mol
Exact Mass298.09
IUPAC Name[2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OCC(F)(F)C(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H11F5N4O/c11-9(12,10(13,14)15)4-20-7-3-6(19-16)17-8(18-7)5-1-2-5/h3,5H,1-2,4,16H2,(H,17,18,19)
InChIKeyFZVRGACWGRXOKM-UHFFFAOYSA-N
XLogP2.22
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.22
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine (CID 80979868) is [2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine is NNc1cc(OCC(F)(F)C(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is FZVRGACWGRXOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N4O/c11-9(12,10(13,14)15)4-20-7-3-6(19-16)17-8(18-7)5-1-2-5/h3,5H,1-2,4,16H2,(H,17,18,19).
What are the key properties of [2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 298.22 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80979868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).