N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine
C114H101N33O9S — CID 159513654
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine
SMILESCC(Oc1cnc(-c2ccccn2)cn1)c1ccccn1.CN(C)CCOc1cnc(-c2ccccn2)cn1.Cn1ccnc1COc1cnc(-c2ccccn2)cn1.Cn1cncc1COc1cnc(-c2ccccn2)cn1.c1ccc(-c2cnc(OCc3ncco3)cn2)nc1.c1ccc(-c2cnc(OCc3nccs3)cn2)nc1.c1ccc(COc2cnc(-c3ccccn3)cn2)cc1.c1ccc(COc2cnc(-c3ccccn3)cn2)nc1
InChIInChI=1S/C16H14N4O.C16H13N3O.C15H12N4O.2C14H13N5O.C13H10N4O2.C13H10N4OS.C13H16N4O/c1-12(13-6-2-4-8-17-13)21-16-11-19-15(10-20-16)14-7-3-5-9-18-14;1-2-6-13(7-3-1)12-20-16-11-18-15(10-19-16)14-8-4-5-9-17-14;1-3-7-16-12(5-1)11-20-15-10-18-14(9-19-15)13-6-2-4-8-17-13;1-19-10-15-6-11(19)9-20-14-8-17-13(7-18-14)12-4-2-3-5-16-12;1-19-7-6-16-13(19)10-20-14-9-17-12(8-18-14)11-4-2-3-5-15-11;1-2-4-14-10(3-1)11-7-17-12(8-16-11)19-9-13-15-5-6-18-13;1-2-4-14-10(3-1)11-7-17-12(8-16-11)18-9-13-15-5-6-19-13;1-17(2)7-8-18-13-10-15-12(9-16-13)11-5-3-4-6-14-11/h2-12H,1H3;1-11H,12H2;1-10H,11H2;2-8,10H,9H2,1H3;2-9H,10H2,1H3;2*1-8H,9H2;3-6,9-10H,7-8H2,1-2H3
InChIKeyMAXIMZOBZFRBJH-UHFFFAOYSA-N
MW2109.35 g/mol
LogP18.56
Rot. Bonds33
About N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine
N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine (PubChem CID 159513654) has the molecular formula C114H101N33O9S and a molecular weight of 2109.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine.
Molecular Properties
| Compound Name | N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine |
|---|---|
| PubChem CID | 159513654 |
| Molecular Formula | C114H101N33O9S |
| Molecular Weight | 2109.35 g/mol |
| Exact Mass | 2107.82 |
| IUPAC Name | N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine |
| SMILES | CC(Oc1cnc(-c2ccccn2)cn1)c1ccccn1.CN(C)CCOc1cnc(-c2ccccn2)cn1.Cn1ccnc1COc1cnc(-c2ccccn2)cn1.Cn1cncc1COc1cnc(-c2ccccn2)cn1.c1ccc(-c2cnc(OCc3ncco3)cn2)nc1.c1ccc(-c2cnc(OCc3nccs3)cn2)nc1.c1ccc(COc2cnc(-c3ccccn3)cn2)cc1.c1ccc(COc2cnc(-c3ccccn3)cn2)nc1 |
| InChI | InChI=1S/C16H14N4O.C16H13N3O.C15H12N4O.2C14H13N5O.C13H10N4O2.C13H10N4OS.C13H16N4O/c1-12(13-6-2-4-8-17-13)21-16-11-19-15(10-20-16)14-7-3-5-9-18-14;1-2-6-13(7-3-1)12-20-16-11-18-15(10-19-16)14-8-4-5-9-17-14;1-3-7-16-12(5-1)11-20-15-10-18-14(9-19-15)13-6-2-4-8-17-13;1-19-10-15-6-11(19)9-20-14-8-17-13(7-18-14)12-4-2-3-5-16-12;1-19-7-6-16-13(19)10-20-14-9-17-12(8-18-14)11-4-2-3-5-15-11;1-2-4-14-10(3-1)11-7-17-12(8-16-11)19-9-13-15-5-6-18-13;1-2-4-14-10(3-1)11-7-17-12(8-16-11)18-9-13-15-5-6-19-13;1-17(2)7-8-18-13-10-15-12(9-16-13)11-5-3-4-6-14-11/h2-12H,1H3;1-11H,12H2;1-10H,11H2;2-8,10H,9H2,1H3;2-9H,10H2,1H3;2*1-8H,9H2;3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | MAXIMZOBZFRBJH-UHFFFAOYSA-N |
| XLogP | 18.56 |
| TPSA | 486.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 157 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2109.35 |
| LogP ≤ 5 | 18.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 43 |
Frequently Asked Questions
What is the IUPAC name of N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine?
The IUPAC name of N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine (CID 159513654) is N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine.
What is the SMILES notation for N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine?
The canonical SMILES for N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine is CC(Oc1cnc(-c2ccccn2)cn1)c1ccccn1.CN(C)CCOc1cnc(-c2ccccn2)cn1.Cn1ccnc1COc1cnc(-c2ccccn2)cn1.Cn1cncc1COc1cnc(-c2ccccn2)cn1.c1ccc(-c2cnc(OCc3ncco3)cn2)nc1.c1ccc(-c2cnc(OCc3nccs3)cn2)nc1.c1ccc(COc2cnc(-c3ccccn3)cn2)cc1.c1ccc(COc2cnc(-c3ccccn3)cn2)nc1.
What is the InChIKey of N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine?
The InChIKey is MAXIMZOBZFRBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O.C16H13N3O.C15H12N4O.2C14H13N5O.C13H10N4O2.C13H10N4OS.C13H16N4O/c1-12(13-6-2-4-8-17-13)21-16-11-19-15(10-20-16)14-7-3-5-9-18-14;1-2-6-13(7-3-1)12-20-16-11-18-15(10-19-16)14-8-4-5-9-17-14;1-3-7-16-12(5-1)11-20-15-10-18-14(9-19-15)13-6-2-4-8-17-13;1-19-10-15-6-11(19)9-20-14-8-17-13(7-18-14)12-4-2-3-5-16-12;1-19-7-6-16-13(19)10-20-14-9-17-12(8-18-14)11-4-2-3-5-15-11;1-2-4-14-10(3-1)11-7-17-12(8-16-11)19-9-13-15-5-6-18-13;1-2-4-14-10(3-1)11-7-17-12(8-16-11)18-9-13-15-5-6-19-13;1-17(2)7-8-18-13-10-15-12(9-16-13)11-5-3-4-6-14-11/h2-12H,1H3;1-11H,12H2;1-10H,11H2;2-8,10H,9H2,1H3;2-9H,10H2,1H3;2*1-8H,9H2;3-6,9-10H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine?
N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine has a molecular weight of 2109.35 g/mol, XLogP of 18.56, 33 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-pyridin-2-ylpyrazin-2-yl)oxyethanamine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrazine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrazine;2-phenylmethoxy-5-pyridin-2-ylpyrazine;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-oxazole;2-[(5-pyridin-2-ylpyrazin-2-yl)oxymethyl]-1,3-thiazole;2-pyridin-2-yl-5-(1-pyridin-2-ylethoxy)pyrazine;2-pyridin-2-yl-5-(pyridin-2-ylmethoxy)pyrazine is sourced from PubChem (CID 159513654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159513654 — identifiers, structure, computed properties (public domain)
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