2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine

C16H29N3O2 — CID 79219791

IUPAC2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCCOCc1nc(CC)c(CCNCCOC)c(CC)n1
InChIInChI=1S/C16H29N3O2/c1-5-14-13(8-9-17-10-11-20-4)15(6-2)19-16(18-14)12-21-7-3/h17H,5-12H2,1-4H3
InChIKeyLSAJLNJBEMFTIX-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.92
Rot. Bonds11

About 2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine

2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 79219791) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID79219791
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCCOCc1nc(CC)c(CCNCCOC)c(CC)n1
InChIInChI=1S/C16H29N3O2/c1-5-14-13(8-9-17-10-11-20-4)15(6-2)19-16(18-14)12-21-7-3/h17H,5-12H2,1-4H3
InChIKeyLSAJLNJBEMFTIX-UHFFFAOYSA-N
XLogP1.92
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.92
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

N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 79218565
2-(ethoxymethyl)-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401288
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 102929117
2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66305995
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine
CID 62744609
N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
CID 62745099
2-[4,6-diethyl-2-(2-methoxyethyl)pyrimidin-5-yl]acetic acid
CID 79219333
N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 106815497
2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 116811010
2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine (CID 79219791) is 2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine is CCOCc1nc(CC)c(CCNCCOC)c(CC)n1.
What is the InChIKey of 2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is LSAJLNJBEMFTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-14-13(8-9-17-10-11-20-4)15(6-2)19-16(18-14)12-21-7-3/h17H,5-12H2,1-4H3.
What are the key properties of 2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 295.43 g/mol, XLogP of 1.92, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 79219791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).