N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine

C12H21N3O2 — CID 112635282

IUPACN-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine
SMILESCCNCCOc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-5-13-6-7-16-12-14-10(4)8-11(15-12)17-9(2)3/h8-9,13H,5-7H2,1-4H3
InChIKeyGSLOQGDTKQVGNT-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.56
Rot. Bonds7

About N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine

N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine (PubChem CID 112635282) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine
PubChem CID112635282
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine
SMILESCCNCCOc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-5-13-6-7-16-12-14-10(4)8-11(15-12)17-9(2)3/h8-9,13H,5-7H2,1-4H3
InChIKeyGSLOQGDTKQVGNT-UHFFFAOYSA-N
XLogP1.56
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.56
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-[2-(ethylamino)ethoxy]-6-methylpyrimidine-4-carbonitrile
CID 107553095
N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine
CID 63206105
1-N,1-N-diethyl-2-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 115974900
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
4-methyl-6-propan-2-yloxypyrimidine-2-carbaldehyde
CID 83875379
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112635405
4-methyl-6-propan-2-yl-2-propoxypyrimidine
CID 176993586
2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine
CID 114869802
2,2-dimethyl-6-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxymethyl]morpholine
CID 114775692
N-ethyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636791
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
CID 112638489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine?
The IUPAC name of N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine (CID 112635282) is N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine.
What is the SMILES notation for N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine?
The canonical SMILES for N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine is CCNCCOc1nc(C)cc(OC(C)C)n1.
What is the InChIKey of N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine?
The InChIKey is GSLOQGDTKQVGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-13-6-7-16-12-14-10(4)8-11(15-12)17-9(2)3/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine?
N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine has a molecular weight of 239.32 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine is sourced from PubChem (CID 112635282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).