(5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione

C132H125F11N30O25 — CID 165093490

IUPAC(5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC[C@H]1NC(=O)N(c2nc(Oc3ccccc3-c3ccccc3)cc(C(F)(F)F)n2)C1=O.CC[C@H]1NC(=O)N(c2ncc(F)c(Oc3ccc(C)c(OC)c3)n2)C1=O.COc1c(C)cc(Oc2cc(N3C(=O)NC(C)(C)C3=O)nc(F)n2)cc1C.COc1cc(Oc2ncnc(N3C(=O)NC(C)(C)C3=O)c2F)ccc1C.Cc1ccc(Oc2ncnc(N3C(=O)NC(C)(C)C3=O)c2F)c2c1OCC2(C)C.[C-]#[N+]c1cc(Oc2cc(N3C(=O)NC(C)(C)C3=O)nc(C(F)(F)F)n2)ccc1C.[C-]#[N+]c1ccc(Oc2cc(F)nc(N3C(=O)N[C@H](CC)C3=O)n2)c(C(C)(C)C)c1
InChIInChI=1S/C22H17F3N4O3.C20H20FN5O3.C20H21FN4O4.C18H14F3N5O3.C18H19FN4O4.2C17H17FN4O4/c1-2-15-19(30)29(21(31)26-15)20-27-17(22(23,24)25)12-18(28-20)32-16-11-7-6-10-14(16)13-8-4-3-5-9-13;1-6-13-17(27)26(19(28)23-13)18-24-15(21)10-16(25-18)29-14-8-7-11(22-5)9-12(14)20(2,3)4;1-10-6-7-11(12-14(10)28-8-19(12,2)3)29-16-13(21)15(22-9-23-16)25-17(26)20(4,5)24-18(25)27;1-9-5-6-10(7-11(9)22-4)29-13-8-12(23-14(24-13)18(19,20)21)26-15(27)17(2,3)25-16(26)28;1-9-6-11(7-10(2)14(9)26-5)27-13-8-12(20-16(19)21-13)23-15(24)18(3,4)22-17(23)25;1-9-5-6-10(7-11(9)25-4)26-14-12(18)13(19-8-20-14)22-15(23)17(2,3)21-16(22)24;1-4-12-15(23)22(17(24)20-12)16-19-8-11(18)14(21-16)26-10-6-5-9(2)13(7-10)25-3/h3-12,15H,2H2,1H3,(H,26,31);7-10,13H,6H2,1-4H3,(H,23,28);6-7,9H,8H2,1-5H3,(H,24,27);5-8H,1-3H3,(H,25,28);6-8H,1-5H3,(H,22,25);5-8H,1-4H3,(H,21,24);5-8,12H,4H2,1-3H3,(H,20,24)/t15-;13-;;;;;12-/m11....1/s1
InChIKeyXCKPBZQUQFEVQD-MRNJJOECSA-N
MW2740.61 g/mol
LogP24.07
Rot. Bonds28

About (5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione

(5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 165093490) has the molecular formula C132H125F11N30O25 and a molecular weight of 2740.61 g/mol. Its IUPAC name is (5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID165093490
Molecular FormulaC132H125F11N30O25
Molecular Weight2740.61 g/mol
Exact Mass2738.93
IUPAC Name(5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC[C@H]1NC(=O)N(c2nc(Oc3ccccc3-c3ccccc3)cc(C(F)(F)F)n2)C1=O.CC[C@H]1NC(=O)N(c2ncc(F)c(Oc3ccc(C)c(OC)c3)n2)C1=O.COc1c(C)cc(Oc2cc(N3C(=O)NC(C)(C)C3=O)nc(F)n2)cc1C.COc1cc(Oc2ncnc(N3C(=O)NC(C)(C)C3=O)c2F)ccc1C.Cc1ccc(Oc2ncnc(N3C(=O)NC(C)(C)C3=O)c2F)c2c1OCC2(C)C.[C-]#[N+]c1cc(Oc2cc(N3C(=O)NC(C)(C)C3=O)nc(C(F)(F)F)n2)ccc1C.[C-]#[N+]c1ccc(Oc2cc(F)nc(N3C(=O)N[C@H](CC)C3=O)n2)c(C(C)(C)C)c1
InChIInChI=1S/C22H17F3N4O3.C20H20FN5O3.C20H21FN4O4.C18H14F3N5O3.C18H19FN4O4.2C17H17FN4O4/c1-2-15-19(30)29(21(31)26-15)20-27-17(22(23,24)25)12-18(28-20)32-16-11-7-6-10-14(16)13-8-4-3-5-9-13;1-6-13-17(27)26(19(28)23-13)18-24-15(21)10-16(25-18)29-14-8-7-11(22-5)9-12(14)20(2,3)4;1-10-6-7-11(12-14(10)28-8-19(12,2)3)29-16-13(21)15(22-9-23-16)25-17(26)20(4,5)24-18(25)27;1-9-5-6-10(7-11(9)22-4)29-13-8-12(23-14(24-13)18(19,20)21)26-15(27)17(2,3)25-16(26)28;1-9-6-11(7-10(2)14(9)26-5)27-13-8-12(20-16(19)21-13)23-15(24)18(3,4)22-17(23)25;1-9-5-6-10(7-11(9)25-4)26-14-12(18)13(19-8-20-14)22-15(23)17(2,3)21-16(22)24;1-4-12-15(23)22(17(24)20-12)16-19-8-11(18)14(21-16)26-10-6-5-9(2)13(7-10)25-3/h3-12,15H,2H2,1H3,(H,26,31);7-10,13H,6H2,1-4H3,(H,23,28);6-7,9H,8H2,1-5H3,(H,24,27);5-8H,1-3H3,(H,25,28);6-8H,1-5H3,(H,22,25);5-8H,1-4H3,(H,21,24);5-8,12H,4H2,1-3H3,(H,20,24)/t15-;13-;;;;;12-/m11....1/s1
InChIKeyXCKPBZQUQFEVQD-MRNJJOECSA-N
XLogP24.07
TPSA636.58 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds28
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002740.61
LogP ≤ 524.07
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)pyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-6-yloxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;5,5-dimethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-[(5-methoxy-3-pyridinyl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 164962161
(5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 165004116
(5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 165024947
3-[6-[3-(cyclopropylmethoxy)-4-methylphenoxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[6-(4-fluoro-3-methoxyphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;7-[6-(3-isocyano-4-methylphenoxy)pyrimidin-4-yl]-5,7-diazaspiro[3.4]octane-6,8-dione;3-[6-(3-isocyano-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 164979018

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione (CID 165093490) is (5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione is CC[C@H]1NC(=O)N(c2nc(Oc3ccccc3-c3ccccc3)cc(C(F)(F)F)n2)C1=O.CC[C@H]1NC(=O)N(c2ncc(F)c(Oc3ccc(C)c(OC)c3)n2)C1=O.COc1c(C)cc(Oc2cc(N3C(=O)NC(C)(C)C3=O)nc(F)n2)cc1C.COc1cc(Oc2ncnc(N3C(=O)NC(C)(C)C3=O)c2F)ccc1C.Cc1ccc(Oc2ncnc(N3C(=O)NC(C)(C)C3=O)c2F)c2c1OCC2(C)C.[C-]#[N+]c1cc(Oc2cc(N3C(=O)NC(C)(C)C3=O)nc(C(F)(F)F)n2)ccc1C.[C-]#[N+]c1ccc(Oc2cc(F)nc(N3C(=O)N[C@H](CC)C3=O)n2)c(C(C)(C)C)c1.
What is the InChIKey of (5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is XCKPBZQUQFEVQD-MRNJJOECSA-N. The full InChI is InChI=1S/C22H17F3N4O3.C20H20FN5O3.C20H21FN4O4.C18H14F3N5O3.C18H19FN4O4.2C17H17FN4O4/c1-2-15-19(30)29(21(31)26-15)20-27-17(22(23,24)25)12-18(28-20)32-16-11-7-6-10-14(16)13-8-4-3-5-9-13;1-6-13-17(27)26(19(28)23-13)18-24-15(21)10-16(25-18)29-14-8-7-11(22-5)9-12(14)20(2,3)4;1-10-6-7-11(12-14(10)28-8-19(12,2)3)29-16-13(21)15(22-9-23-16)25-17(26)20(4,5)24-18(25)27;1-9-5-6-10(7-11(9)22-4)29-13-8-12(23-14(24-13)18(19,20)21)26-15(27)17(2,3)25-16(26)28;1-9-6-11(7-10(2)14(9)26-5)27-13-8-12(20-16(19)21-13)23-15(24)18(3,4)22-17(23)25;1-9-5-6-10(7-11(9)25-4)26-14-12(18)13(19-8-20-14)22-15(23)17(2,3)21-16(22)24;1-4-12-15(23)22(17(24)20-12)16-19-8-11(18)14(21-16)26-10-6-5-9(2)13(7-10)25-3/h3-12,15H,2H2,1H3,(H,26,31);7-10,13H,6H2,1-4H3,(H,23,28);6-7,9H,8H2,1-5H3,(H,24,27);5-8H,1-3H3,(H,25,28);6-8H,1-5H3,(H,22,25);5-8H,1-4H3,(H,21,24);5-8,12H,4H2,1-3H3,(H,20,24)/t15-;13-;;;;;12-/m11....1/s1.
What are the key properties of (5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
(5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 2740.61 g/mol, XLogP of 24.07, 28 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 165093490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).