1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone
C92H73ClF5N15O11 — CID 157411750
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.CCc1cccc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.COc1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.Cc1ccnc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1cncc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C20H18N2O2.C19H14F3N3O2.C18H14FN3O3.C18H14FN3O2.C17H13ClN4O2/c1-2-16-7-4-8-17(22-16)13-20(23)15-6-3-9-18(12-15)24-19-10-5-11-21-14-19;1-19(21,22)18-4-2-3-14(25-18)8-17(26)12-5-13(20)7-15(6-12)27-16-9-23-11-24-10-16;1-24-18-4-2-3-14(22-18)8-17(23)12-5-13(19)7-15(6-12)25-16-9-20-11-21-10-16;1-12-2-13(8-20-7-12)3-18(23)14-4-15(19)6-16(5-14)24-17-9-21-11-22-10-17;1-11-2-3-21-17(22-11)7-16(23)12-4-13(18)6-14(5-12)24-15-8-19-10-20-9-15/h3-12,14H,2,13H2,1H3;2-7,9-11H,8H2,1H3;2-7,9-11H,8H2,1H3;2,4-11H,3H2,1H3;2-6,8-10H,7H2,1H3
InChIKeyBOJFOORKPNKQGX-UHFFFAOYSA-N
MW1695.13 g/mol
LogP18.82
Rot. Bonds28
About 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone (PubChem CID 157411750) has the molecular formula C92H73ClF5N15O11 and a molecular weight of 1695.13 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone.
Molecular Properties
| Compound Name | 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone |
|---|---|
| PubChem CID | 157411750 |
| Molecular Formula | C92H73ClF5N15O11 |
| Molecular Weight | 1695.13 g/mol |
| Exact Mass | 1693.52 |
| IUPAC Name | 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone |
| SMILES | CC(F)(F)c1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.CCc1cccc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.COc1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.Cc1ccnc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1cncc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1 |
| InChI | InChI=1S/C20H18N2O2.C19H14F3N3O2.C18H14FN3O3.C18H14FN3O2.C17H13ClN4O2/c1-2-16-7-4-8-17(22-16)13-20(23)15-6-3-9-18(12-15)24-19-10-5-11-21-14-19;1-19(21,22)18-4-2-3-14(25-18)8-17(26)12-5-13(20)7-15(6-12)27-16-9-23-11-24-10-16;1-24-18-4-2-3-14(22-18)8-17(23)12-5-13(19)7-15(6-12)25-16-9-20-11-21-10-16;1-12-2-13(8-20-7-12)3-18(23)14-4-15(19)6-16(5-14)24-17-9-21-11-22-10-17;1-11-2-3-21-17(22-11)7-16(23)12-4-13(18)6-14(5-12)24-15-8-19-10-20-9-15/h3-12,14H,2,13H2,1H3;2-7,9-11H,8H2,1H3;2-7,9-11H,8H2,1H3;2,4-11H,3H2,1H3;2-6,8-10H,7H2,1H3 |
| InChIKey | BOJFOORKPNKQGX-UHFFFAOYSA-N |
| XLogP | 18.82 |
| TPSA | 334.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 124 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1695.13 |
| LogP ≤ 5 | 18.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
Frequently Asked Questions
What is the IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone (CID 157411750) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone is CC(F)(F)c1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.CCc1cccc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.COc1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.Cc1ccnc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1cncc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1.
What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone?
The InChIKey is BOJFOORKPNKQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2.C19H14F3N3O2.C18H14FN3O3.C18H14FN3O2.C17H13ClN4O2/c1-2-16-7-4-8-17(22-16)13-20(23)15-6-3-9-18(12-15)24-19-10-5-11-21-14-19;1-19(21,22)18-4-2-3-14(25-18)8-17(26)12-5-13(20)7-15(6-12)27-16-9-23-11-24-10-16;1-24-18-4-2-3-14(22-18)8-17(23)12-5-13(19)7-15(6-12)25-16-9-20-11-21-10-16;1-12-2-13(8-20-7-12)3-18(23)14-4-15(19)6-16(5-14)24-17-9-21-11-22-10-17;1-11-2-3-21-17(22-11)7-16(23)12-4-13(18)6-14(5-12)24-15-8-19-10-20-9-15/h3-12,14H,2,13H2,1H3;2-7,9-11H,8H2,1H3;2-7,9-11H,8H2,1H3;2,4-11H,3H2,1H3;2-6,8-10H,7H2,1H3.
What are the key properties of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone?
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone has a molecular weight of 1695.13 g/mol, XLogP of 18.82, 28 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methylpyrimidin-2-yl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 157411750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 157411750 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.