[2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine

C13H24N4O3 — CID 103408611

IUPAC[2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(OCCCOCCOC)n1
InChIInChI=1S/C13H24N4O3/c1-4-11-15-12(17-14)10(2)13(16-11)20-7-5-6-19-9-8-18-3/h4-9,14H2,1-3H3,(H,15,16,17)
InChIKeyKMHSHLIFYISDDV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.06
Rot. Bonds10

About [2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine

[2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 103408611) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is [2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine
PubChem CID103408611
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name[2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(OCCCOCCOC)n1
InChIInChI=1S/C13H24N4O3/c1-4-11-15-12(17-14)10(2)13(16-11)20-7-5-6-19-9-8-18-3/h4-9,14H2,1-3H3,(H,15,16,17)
InChIKeyKMHSHLIFYISDDV-UHFFFAOYSA-N
XLogP1.06
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine (CID 103408611) is [2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine is CCc1nc(NN)c(C)c(OCCCOCCOC)n1.
What is the InChIKey of [2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is KMHSHLIFYISDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-4-11-15-12(17-14)10(2)13(16-11)20-7-5-6-19-9-8-18-3/h4-9,14H2,1-3H3,(H,15,16,17).
What are the key properties of [2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine?
[2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 284.36 g/mol, XLogP of 1.06, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103408611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).