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

C14H25N3O2S — CID 79218400

IUPAC2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine
SMILESCCNCCc1c(CC)nc(CS(C)(=O)=O)nc1CC
InChIInChI=1S/C14H25N3O2S/c1-5-12-11(8-9-15-7-3)13(6-2)17-14(16-12)10-20(4,18)19/h15H,5-10H2,1-4H3
InChIKeyFCGLXDXDRKBDAA-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.30
Rot. Bonds8

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

2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine (PubChem CID 79218400) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine
PubChem CID79218400
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine
SMILESCCNCCc1c(CC)nc(CS(C)(=O)=O)nc1CC
InChIInChI=1S/C14H25N3O2S/c1-5-12-11(8-9-15-7-3)13(6-2)17-14(16-12)10-20(4,18)19/h15H,5-10H2,1-4H3
InChIKeyFCGLXDXDRKBDAA-UHFFFAOYSA-N
XLogP1.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-diethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-ethylethanamine
CID 79219782
2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine
CID 79218247
N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine
CID 62746741
6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine
CID 62474013
N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 79218565
2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine
CID 104790887
2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine
CID 82886194
2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-ethylethanamine
CID 62744926
N-[3-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 62745801
2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 79219791
4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine
CID 79218408
N-[2-[4,6-diethyl-2-(2-methylpropyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 79220574

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine?
The IUPAC name of 2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine (CID 79218400) is 2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine?
The canonical SMILES for 2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine is CCNCCc1c(CC)nc(CS(C)(=O)=O)nc1CC.
What is the InChIKey of 2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine?
The InChIKey is FCGLXDXDRKBDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-12-11(8-9-15-7-3)13(6-2)17-14(16-12)10-20(4,18)19/h15H,5-10H2,1-4H3.
What are the key properties of 2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine?
2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine has a molecular weight of 299.44 g/mol, XLogP of 1.30, 8 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-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine is sourced from PubChem (CID 79218400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).