2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine

C11H17N3O — CID 114467087

IUPAC2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
SMILESC=C(C)COCCNCc1ncccn1
InChIInChI=1S/C11H17N3O/c1-10(2)9-15-7-6-12-8-11-13-4-3-5-14-11/h3-5,12H,1,6-9H2,2H3
InChIKeyYINPUOFBROXLCB-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.16
Rot. Bonds7

About 2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine

2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine (PubChem CID 114467087) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
PubChem CID114467087
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
SMILESC=C(C)COCCNCc1ncccn1
InChIInChI=1S/C11H17N3O/c1-10(2)9-15-7-6-12-8-11-13-4-3-5-14-11/h3-5,12H,1,6-9H2,2H3
InChIKeyYINPUOFBROXLCB-UHFFFAOYSA-N
XLogP1.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62699364
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114465996
N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115897877
3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzene-1,2-diol
CID 113357946
N-[(4-iodophenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467379
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699192
N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 113258303
3-chloro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol
CID 115699232
2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114527813
N-[(5-fluoro-3-pyridinyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 104953835
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699316
N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
CID 136987934

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine (CID 114467087) is 2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine is C=C(C)COCCNCc1ncccn1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine?
The InChIKey is YINPUOFBROXLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-10(2)9-15-7-6-12-8-11-13-4-3-5-14-11/h3-5,12H,1,6-9H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine?
2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 114467087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).