2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol

C11H19N3O2 — CID 104516709

IUPAC2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol
SMILESCOc1nccnc1C(O)CNC(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-11(2,3)14-7-8(15)9-10(16-4)13-6-5-12-9/h5-6,8,14-15H,7H2,1-4H3
InChIKeyVGNJEWVSXBCHSR-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.91
Rot. Bonds4

About 2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol

2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol (PubChem CID 104516709) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol
PubChem CID104516709
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol
SMILESCOc1nccnc1C(O)CNC(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-11(2,3)14-7-8(15)9-10(16-4)13-6-5-12-9/h5-6,8,14-15H,7H2,1-4H3
InChIKeyVGNJEWVSXBCHSR-UHFFFAOYSA-N
XLogP0.91
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol
CID 104516706
1-(3-methoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105123869
1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol
CID 115831089
2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol
CID 138472942
4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-ol
CID 105123882
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 104515130
1-(3-methoxypyrazin-2-yl)-2-pyridin-2-ylethanol
CID 104515074
2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanone
CID 116588838
1-(3-methoxypyrazin-2-yl)-2-(3-methylphenyl)ethanol
CID 113421532
[2-methoxy-1-(3-methoxypyrazin-2-yl)ethyl]hydrazine
CID 105207269
2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol
CID 113421542

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol (CID 104516709) is 2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol is COc1nccnc1C(O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol?
The InChIKey is VGNJEWVSXBCHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)14-7-8(15)9-10(16-4)13-6-5-12-9/h5-6,8,14-15H,7H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol?
2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol has a molecular weight of 225.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol is sourced from PubChem (CID 104516709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).