N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine

C11H17N3O — CID 102951459

IUPACN-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine
SMILESC=CCC(NCC)c1cc(OC)ncn1
InChIInChI=1S/C11H17N3O/c1-4-6-9(12-5-2)10-7-11(15-3)14-8-13-10/h4,7-9,12H,1,5-6H2,2-3H3
InChIKeyKMUUADZJAQZWNL-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.71
Rot. Bonds6

About N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine

N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine (PubChem CID 102951459) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine
PubChem CID102951459
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine
SMILESC=CCC(NCC)c1cc(OC)ncn1
InChIInChI=1S/C11H17N3O/c1-4-6-9(12-5-2)10-7-11(15-3)14-8-13-10/h4,7-9,12H,1,5-6H2,2-3H3
InChIKeyKMUUADZJAQZWNL-UHFFFAOYSA-N
XLogP1.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol
CID 102950319
N-ethyl-2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951640
1-(6-methoxypyrimidin-4-yl)pent-4-enylhydrazine
CID 102953290
N-ethyl-1-(6-methoxypyrimidin-4-yl)-2-methylbutan-1-amine
CID 102951564
N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
CID 63990208
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951934
N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 102951660
2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951077
2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950996
N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951887
[1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine
CID 102953237

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine?
The IUPAC name of N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine (CID 102951459) is N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine is C=CCC(NCC)c1cc(OC)ncn1.
What is the InChIKey of N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine?
The InChIKey is KMUUADZJAQZWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-6-9(12-5-2)10-7-11(15-3)14-8-13-10/h4,7-9,12H,1,5-6H2,2-3H3.
What are the key properties of N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine?
N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine has a molecular weight of 207.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine is sourced from PubChem (CID 102951459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).