1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine

C14H19N3O2S — CID 105178245

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine
SMILESCOc1cnc(C(N)CCCc2cccs2)c(OC)n1
InChIInChI=1S/C14H19N3O2S/c1-18-12-9-16-13(14(17-12)19-2)11(15)7-3-5-10-6-4-8-20-10/h4,6,8-9,11H,3,5,7,15H2,1-2H3
InChIKeyBRCYDKGGQGOJSB-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.58
Rot. Bonds7

About 1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine

1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 105178245) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine
PubChem CID105178245
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine
SMILESCOc1cnc(C(N)CCCc2cccs2)c(OC)n1
InChIInChI=1S/C14H19N3O2S/c1-18-12-9-16-13(14(17-12)19-2)11(15)7-3-5-10-6-4-8-20-10/h4,6,8-9,11H,3,5,7,15H2,1-2H3
InChIKeyBRCYDKGGQGOJSB-UHFFFAOYSA-N
XLogP2.58
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178278
1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 105030849
1-(3,5-dimethoxypyrazin-2-yl)-2-pyridin-4-ylethanamine
CID 105178270
1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178716
(3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 105031196
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol
CID 65185856
1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115861031
1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105168382
1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105144372
trimethoxy(5-thiophen-2-ylpentyl)silane
CID 139649685
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine (CID 105178245) is 1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine is COc1cnc(C(N)CCCc2cccs2)c(OC)n1.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is BRCYDKGGQGOJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-18-12-9-16-13(14(17-12)19-2)11(15)7-3-5-10-6-4-8-20-10/h4,6,8-9,11H,3,5,7,15H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine?
1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 293.39 g/mol, XLogP of 2.58, 7 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)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105178245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).