2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine

C17H25N3O — CID 104790887

IUPAC2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine
SMILESCCNCCc1c(CC)nc(-c2ccoc2C)nc1CC
InChIInChI=1S/C17H25N3O/c1-5-15-14(8-10-18-7-3)16(6-2)20-17(19-15)13-9-11-21-12(13)4/h9,11,18H,5-8,10H2,1-4H3
InChIKeyZATJGAUHRKKJCL-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.32
Rot. Bonds7

About 2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine

2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine (PubChem CID 104790887) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine
PubChem CID104790887
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine
SMILESCCNCCc1c(CC)nc(-c2ccoc2C)nc1CC
InChIInChI=1S/C17H25N3O/c1-5-15-14(8-10-18-7-3)16(6-2)20-17(19-15)13-9-11-21-12(13)4/h9,11,18H,5-8,10H2,1-4H3
InChIKeyZATJGAUHRKKJCL-UHFFFAOYSA-N
XLogP3.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine?
The IUPAC name of 2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine (CID 104790887) is 2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine?
The canonical SMILES for 2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine is CCNCCc1c(CC)nc(-c2ccoc2C)nc1CC.
What is the InChIKey of 2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine?
The InChIKey is ZATJGAUHRKKJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-15-14(8-10-18-7-3)16(6-2)20-17(19-15)13-9-11-21-12(13)4/h9,11,18H,5-8,10H2,1-4H3.
What are the key properties of 2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine?
2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine is sourced from PubChem (CID 104790887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).