[2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine

C11H18F2N4O — CID 103150516

IUPAC[2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
SMILESCCc1c(C)nc(CCOCC(F)F)nc1NN
InChIInChI=1S/C11H18F2N4O/c1-3-8-7(2)15-10(16-11(8)17-14)4-5-18-6-9(12)13/h9H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyBAKVQXYGQVVHTH-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.46
Rot. Bonds7

About [2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine

[2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 103150516) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is [2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
PubChem CID103150516
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name[2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
SMILESCCc1c(C)nc(CCOCC(F)F)nc1NN
InChIInChI=1S/C11H18F2N4O/c1-3-8-7(2)15-10(16-11(8)17-14)4-5-18-6-9(12)13/h9H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyBAKVQXYGQVVHTH-UHFFFAOYSA-N
XLogP1.46
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.46
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-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine (CID 103150516) is [2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine is CCc1c(C)nc(CCOCC(F)F)nc1NN.
What is the InChIKey of [2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is BAKVQXYGQVVHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c1-3-8-7(2)15-10(16-11(8)17-14)4-5-18-6-9(12)13/h9H,3-6,14H2,1-2H3,(H,15,16,17).
What are the key properties of [2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
[2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 260.29 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103150516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).