1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine

C8H11F2N3O2 — CID 103517039

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
SMILESCOc1cnc(C(N)C(F)F)c(OC)n1
InChIInChI=1S/C8H11F2N3O2/c1-14-4-3-12-6(5(11)7(9)10)8(13-4)15-2/h3,5,7H,11H2,1-2H3
InChIKeyJXWBYYIUZUOBGX-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.76
Rot. Bonds4

About 1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine

1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine (PubChem CID 103517039) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
PubChem CID103517039
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
SMILESCOc1cnc(C(N)C(F)F)c(OC)n1
InChIInChI=1S/C8H11F2N3O2/c1-14-4-3-12-6(5(11)7(9)10)8(13-4)15-2/h3,5,7H,11H2,1-2H3
InChIKeyJXWBYYIUZUOBGX-UHFFFAOYSA-N
XLogP0.76
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309
1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine
CID 114983788
(3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105031257
1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216134
(3,5-dimethoxypyrazin-2-yl)-(2,2-dimethylcyclopentyl)methanamine
CID 107190660
1-(3,5-dimethoxypyrazin-2-yl)-2-propoxyethanamine
CID 107946647
1-(3,5-dimethoxypyrazin-2-yl)-2-pyridin-4-ylethanamine
CID 105178270
(3,5-dimethoxypyrazin-2-yl)-(4-methylthiadiazol-5-yl)methanamine
CID 105178333
(3,5-dimethoxypyrazin-2-yl)-(1,3-thiazol-4-yl)methanol
CID 113404120
(3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 105031196
1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol
CID 113404113

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine (CID 103517039) is 1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine is COc1cnc(C(N)C(F)F)c(OC)n1.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine?
The InChIKey is JXWBYYIUZUOBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-14-4-3-12-6(5(11)7(9)10)8(13-4)15-2/h3,5,7H,11H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine?
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine has a molecular weight of 219.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 103517039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).