(3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine

C12H15N3O2S — CID 105031196

IUPAC(3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1cnc(C(N)c2sccc2C)c(OC)n1
InChIInChI=1S/C12H15N3O2S/c1-7-4-5-18-11(7)9(13)10-12(17-3)15-8(16-2)6-14-10/h4-6,9H,13H2,1-3H3
InChIKeyIOKDUUWFVPLAJO-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.91
Rot. Bonds4

About (3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine

(3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 105031196) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is (3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine
PubChem CID105031196
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name(3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1cnc(C(N)c2sccc2C)c(OC)n1
InChIInChI=1S/C12H15N3O2S/c1-7-4-5-18-11(7)9(13)10-12(17-3)15-8(16-2)6-14-10/h4-6,9H,13H2,1-3H3
InChIKeyIOKDUUWFVPLAJO-UHFFFAOYSA-N
XLogP1.91
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxypyrazin-2-yl)-(4-methylthiadiazol-5-yl)methanamine
CID 105178333
(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102950671
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039
N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031226
(3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105031257
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309
1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine
CID 105178245
(3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine
CID 107994970
(3,5-dimethoxypyrazin-2-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812779
1-(3,5-dimethoxypyrazin-2-yl)-2-propoxyethanamine
CID 107946647
(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 115530132

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine (CID 105031196) is (3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine is COc1cnc(C(N)c2sccc2C)c(OC)n1.
What is the InChIKey of (3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is IOKDUUWFVPLAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-4-5-18-11(7)9(13)10-12(17-3)15-8(16-2)6-14-10/h4-6,9H,13H2,1-3H3.
What are the key properties of (3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine?
(3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 265.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 105031196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).