1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine

C13H21N3O3 — CID 105031020

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1ncc(OC)nc1OC
InChIInChI=1S/C13H21N3O3/c1-14-10(7-9-5-4-6-19-9)12-13(18-3)16-11(17-2)8-15-12/h8-10,14H,4-7H2,1-3H3
InChIKeyMCHSMJNTEOCHIM-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.32
Rot. Bonds6

About 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine

1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine (PubChem CID 105031020) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
PubChem CID105031020
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1ncc(OC)nc1OC
InChIInChI=1S/C13H21N3O3/c1-14-10(7-9-5-4-6-19-9)12-13(18-3)16-11(17-2)8-15-12/h8-10,14H,4-7H2,1-3H3
InChIKeyMCHSMJNTEOCHIM-UHFFFAOYSA-N
XLogP1.32
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethyl]propan-1-amine
CID 103169401
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine
CID 105030844
3-cyclopentyl-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
CID 105031097
1-(3,5-dimethoxypyrazin-2-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 105031280
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
[1-(4-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267425
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166
[(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methyl]hydrazine
CID 105332208
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 62797333
(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol
CID 115830736
N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687122

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine (CID 105031020) is 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine is CNC(CC1CCCO1)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is MCHSMJNTEOCHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-14-10(7-9-5-4-6-19-9)12-13(18-3)16-11(17-2)8-15-12/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 267.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 105031020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).