[5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine

C11H17F3N4O — CID 103150517

IUPAC[5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine
SMILESCCc1c(C)nc(CCOCC(F)(F)F)nc1NN
InChIInChI=1S/C11H17F3N4O/c1-3-8-7(2)16-9(17-10(8)18-15)4-5-19-6-11(12,13)14/h3-6,15H2,1-2H3,(H,16,17,18)
InChIKeyAFKKQZUBHDHVKB-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.75
Rot. Bonds6

About [5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine

[5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine (PubChem CID 103150517) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is [5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine
PubChem CID103150517
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name[5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine
SMILESCCc1c(C)nc(CCOCC(F)(F)F)nc1NN
InChIInChI=1S/C11H17F3N4O/c1-3-8-7(2)16-9(17-10(8)18-15)4-5-19-6-11(12,13)14/h3-6,15H2,1-2H3,(H,16,17,18)
InChIKeyAFKKQZUBHDHVKB-UHFFFAOYSA-N
XLogP1.75
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.75
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 [5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine (CID 103150517) is [5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine is CCc1c(C)nc(CCOCC(F)(F)F)nc1NN.
What is the InChIKey of [5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine?
The InChIKey is AFKKQZUBHDHVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-8-7(2)16-9(17-10(8)18-15)4-5-19-6-11(12,13)14/h3-6,15H2,1-2H3,(H,16,17,18).
What are the key properties of [5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine?
[5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine has a molecular weight of 278.28 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103150517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).