3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione

C52H45F7N12O12 — CID 165012716

About 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione

3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 165012716) has the molecular formula C52H45F7N12O12 and a molecular weight of 1162.99 g/mol. Its IUPAC name is 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione
• PubChem CID: 165012716
• Molecular Formula: C52H45F7N12O12
• Molecular Weight: 1162.99 g/mol
• Exact Mass: 1162.32
• IUPAC Name: 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione
• SMILES: CC1(C)NC(=O)N(c2cc(Oc3ccc4c(c3)CCO4)nc(F)n2)C1=O.CC1(C)NC(=O)N(c2ncnc(Oc3ccc4c(c3)CCO4)c2C(F)(F)F)C1=O.COc1cncc(Oc2ncnc(N3C(=O)CC(C)(C)C3=O)c2C(F)(F)F)c1
• InChI: InChI=1S/C18H15F3N4O4.C17H15F3N4O4.C17H15FN4O4/c1-17(2)15(26)25(16(27)24-17)13-12(18(19,20)21)14(23-8-22-13)29-10-3-4-11-9(7-10)5-6-28-11;1-16(2)5-11(25)24(15(16)26)13-12(17(18,19)20)14(23-8-22-13)28-10-4-9(27-3)6-21-7-10;1-17(2)14(23)22(16(24)21-17)12-8-13(20-15(18)19-12)26-10-3-4-11-9(7-10)5-6-25-11/h3-4,7-8H,5-6H2,1-2H3,(H,24,27);4,6-8H,5H2,1-3H3;3-4,7-8H,5-6H2,1-2H3,(H,21,24)
• InChIKey: JYFBYLDXKRQDPW-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 281.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.99
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione?

The IUPAC name of 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione (CID 165012716) is 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione.

What is the SMILES notation for 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione?

The canonical SMILES for 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)NC(=O)N(c2cc(Oc3ccc4c(c3)CCO4)nc(F)n2)C1=O.CC1(C)NC(=O)N(c2ncnc(Oc3ccc4c(c3)CCO4)c2C(F)(F)F)C1=O.COc1cncc(Oc2ncnc(N3C(=O)CC(C)(C)C3=O)c2C(F)(F)F)c1.

What is the InChIKey of 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione?

The InChIKey is JYFBYLDXKRQDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4.C17H15F3N4O4.C17H15FN4O4/c1-17(2)15(26)25(16(27)24-17)13-12(18(19,20)21)14(23-8-22-13)29-10-3-4-11-9(7-10)5-6-28-11;1-16(2)5-11(25)24(15(16)26)13-12(17(18,19)20)14(23-8-22-13)28-10-4-9(27-3)6-21-7-10;1-17(2)14(23)22(16(24)21-17)12-8-13(20-15(18)19-12)26-10-3-4-11-9(7-10)5-6-25-11/h3-4,7-8H,5-6H2,1-2H3,(H,24,27);4,6-8H,5H2,1-3H3;3-4,7-8H,5-6H2,1-2H3,(H,21,24).

What are the key properties of 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione?

3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 1162.99 g/mol, XLogP of 8.22, 10 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-2-fluoropyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-5-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;1-[6-[(5-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 165012716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).