disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide

C108H108Br3CuI5N19Na2O17S — CID 159366781

About disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide

disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide (PubChem CID 159366781) has the molecular formula C108H108Br3CuI5N19Na2O17S and a molecular weight of 2959.99 g/mol. Its IUPAC name is disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide.

Molecular Properties

• Compound Name: disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide
• PubChem CID: 159366781
• Molecular Formula: C108H108Br3CuI5N19Na2O17S
• Molecular Weight: 2959.99 g/mol
• Exact Mass: 2954.98
• IUPAC Name: disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide
• SMILES: BrBr.C.CCC(=O)CC(=O)c1ccc(OC)c(I)c1.CCOC(=O)CC.CC[S-].CCc1nc2ncccn2c1C(=O)c1cc(Br)c(O)c(C#N)c1.CCc1nc2ncccn2c1C(=O)c1ccc(O)c(C#N)c1.CCc1nc2ncccn2c1C(=O)c1ccc(OC)c(C#N)c1.CCc1nc2ncccn2c1C(=O)c1ccc(OC)c(I)c1.COc1ccc(C(C)=O)cc1.COc1ccc(C(C)=O)cc1I.II.Nc1ncccn1.[C-]#N.[Cu+].[H-].[Na+].[Na+]
• InChI: InChI=1S/C17H14N4O2.C16H11BrN4O2.C16H14IN3O2.C16H12N4O2.C12H13IO3.C9H9IO2.C9H10O2.C5H10O2.C4H5N3.C2H6S.CN.CH4.Br2.Cu.I2.2Na.H/c1-3-13-15(21-8-4-7-19-17(21)20-13)16(22)11-5-6-14(23-2)12(9-11)10-18;1-2-12-13(21-5-3-4-19-16(21)20-12)15(23)9-6-10(8-18)14(22)11(17)7-9;1-3-12-14(20-8-4-7-18-16(20)19-12)15(21)10-5-6-13(22-2)11(17)9-10;1-2-12-14(20-7-3-6-18-16(20)19-12)15(22)10-4-5-13(21)11(8-10)9-17;1-3-9(14)7-11(15)8-4-5-12(16-2)10(13)6-8;1-6(11)7-3-4-9(12-2)8(10)5-7;1-7(10)8-3-5-9(11-2)6-4-8;1-3-5(6)7-4-2;5-4-6-2-1-3-7-4;1-2-3;1-2;;1-2;;1-2;;;/h4-9H,3H2,1-2H3;3-7,22H,2H2,1H3;4-9H,3H2,1-2H3;3-8,21H,2H2,1H3;4-6H,3,7H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-4H2,1-2H3;1-3H,(H2,5,6,7);3H,2H2,1H3;;1H4;;;;;;/q;;;;;;;;;;-1;;;+1;;2*+1;-1/p-1
• InChIKey: JOHMIGCBKAIDDJ-UHFFFAOYSA-M
• XLogP: 17.64
• TPSA: 517.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2959.99
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide?

The IUPAC name of disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide (CID 159366781) is disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide.

What is the SMILES notation for disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide?

The canonical SMILES for disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide is BrBr.C.CCC(=O)CC(=O)c1ccc(OC)c(I)c1.CCOC(=O)CC.CC[S-].CCc1nc2ncccn2c1C(=O)c1cc(Br)c(O)c(C#N)c1.CCc1nc2ncccn2c1C(=O)c1ccc(O)c(C#N)c1.CCc1nc2ncccn2c1C(=O)c1ccc(OC)c(C#N)c1.CCc1nc2ncccn2c1C(=O)c1ccc(OC)c(I)c1.COc1ccc(C(C)=O)cc1.COc1ccc(C(C)=O)cc1I.II.Nc1ncccn1.[C-]#N.[Cu+].[H-].[Na+].[Na+].

What is the InChIKey of disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide?

The InChIKey is JOHMIGCBKAIDDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14N4O2.C16H11BrN4O2.C16H14IN3O2.C16H12N4O2.C12H13IO3.C9H9IO2.C9H10O2.C5H10O2.C4H5N3.C2H6S.CN.CH4.Br2.Cu.I2.2Na.H/c1-3-13-15(21-8-4-7-19-17(21)20-13)16(22)11-5-6-14(23-2)12(9-11)10-18;1-2-12-13(21-5-3-4-19-16(21)20-12)15(23)9-6-10(8-18)14(22)11(17)7-9;1-3-12-14(20-8-4-7-18-16(20)19-12)15(21)10-5-6-13(22-2)11(17)9-10;1-2-12-14(20-7-3-6-18-16(20)19-12)15(22)10-4-5-13(21)11(8-10)9-17;1-3-9(14)7-11(15)8-4-5-12(16-2)10(13)6-8;1-6(11)7-3-4-9(12-2)8(10)5-7;1-7(10)8-3-5-9(11-2)6-4-8;1-3-5(6)7-4-2;5-4-6-2-1-3-7-4;1-2-3;1-2;;1-2;;1-2;;;/h4-9H,3H2,1-2H3;3-7,22H,2H2,1H3;4-9H,3H2,1-2H3;3-8,21H,2H2,1H3;4-6H,3,7H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-4H2,1-2H3;1-3H,(H2,5,6,7);3H,2H2,1H3;;1H4;;;;;;/q;;;;;;;;;;-1;;;+1;;2*+1;-1/p-1.

What are the key properties of disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide?

disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide has a molecular weight of 2959.99 g/mol, XLogP of 17.64, 25 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;3-bromo-5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;copper(1+);ethanethiolate;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile;5-(2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl)-2-methoxybenzonitrile;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(3-iodo-4-methoxyphenyl)methanone;ethyl propanoate;hydride;1-(3-iodo-4-methoxyphenyl)ethanone;1-(3-iodo-4-methoxyphenyl)pentane-1,3-dione;methane;1-(4-methoxyphenyl)ethanone;molecular bromine;molecular iodine;pyrimidin-2-amine;cyanide is sourced from PubChem (CID 159366781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).