2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine

C16H28N4 — CID 79219782

IUPAC2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine
SMILESCCNCCc1c(CC)nc(N2CCCC2)nc1CC
InChIInChI=1S/C16H28N4/c1-4-14-13(9-10-17-6-3)15(5-2)19-16(18-14)20-11-7-8-12-20/h17H,4-12H2,1-3H3
InChIKeyWQMDKFGVGXKJLY-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.35
Rot. Bonds7

About 2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine

2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine (PubChem CID 79219782) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine
PubChem CID79219782
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine
SMILESCCNCCc1c(CC)nc(N2CCCC2)nc1CC
InChIInChI=1S/C16H28N4/c1-4-14-13(9-10-17-6-3)15(5-2)19-16(18-14)20-11-7-8-12-20/h17H,4-12H2,1-3H3
InChIKeyWQMDKFGVGXKJLY-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine?
The IUPAC name of 2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine (CID 79219782) is 2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine is CCNCCc1c(CC)nc(N2CCCC2)nc1CC.
What is the InChIKey of 2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine?
The InChIKey is WQMDKFGVGXKJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-14-13(9-10-17-6-3)15(5-2)19-16(18-14)20-11-7-8-12-20/h17H,4-12H2,1-3H3.
What are the key properties of 2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine?
2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine has a molecular weight of 276.43 g/mol, XLogP of 2.35, 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-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine is sourced from PubChem (CID 79219782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).