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

C16H25N5 — CID 82886194

IUPAC2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine
SMILESCCNCCc1c(CC)nc(-c2cncn2C)nc1CC
InChIInChI=1S/C16H25N5/c1-5-13-12(8-9-17-7-3)14(6-2)20-16(19-13)15-10-18-11-21(15)4/h10-11,17H,5-9H2,1-4H3
InChIKeyAYFHPOIXXILULU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.15
Rot. Bonds7

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

2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine (PubChem CID 82886194) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine
PubChem CID82886194
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine
SMILESCCNCCc1c(CC)nc(-c2cncn2C)nc1CC
InChIInChI=1S/C16H25N5/c1-5-13-12(8-9-17-7-3)14(6-2)20-16(19-13)15-10-18-11-21(15)4/h10-11,17H,5-9H2,1-4H3
InChIKeyAYFHPOIXXILULU-UHFFFAOYSA-N
XLogP2.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-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-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine?
The IUPAC name of 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine (CID 82886194) is 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine?
The canonical SMILES for 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine is CCNCCc1c(CC)nc(-c2cncn2C)nc1CC.
What is the InChIKey of 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine?
The InChIKey is AYFHPOIXXILULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-5-13-12(8-9-17-7-3)14(6-2)20-16(19-13)15-10-18-11-21(15)4/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine?
2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine is sourced from PubChem (CID 82886194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).