(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine

C₈₀H₈₃Br₂F₃N₁₂O₁₃ — CID 158560634

About (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine

(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 158560634) has the molecular formula C₈₀H₈₃Br₂F₃N₁₂O₁₃ and a molecular weight of 1637.42 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 158560634
• Molecular Formula: C₈₀H₈₃Br₂F₃N₁₂O₁₃
• Molecular Weight: 1637.42 g/mol
• Exact Mass: 1634.45
• IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine
• SMILES: CCC(=O)CC(=O)c1ccc(OC)cc1.CCOC(=O)CC.CCc1nc2nc(C)ccn2c1C(=O)c1cc(Br)c(O)c(Br)c1.CCc1nc2nc(C)ccn2c1C(=O)c1ccc(O)cc1.CCc1nc2nc(C)ccn2c1C(=O)c1ccc(OC)cc1.COc1ccc(C(C)=O)cc1.Nc1nccc(C(F)(F)F)n1
• InChI: InChI=1S/C17H17N3O2.C16H13Br2N3O2.C16H15N3O2.C12H14O3.C9H10O2.C5H4F3N3.C5H10O2/c1-4-14-15(20-10-9-11(2)18-17(20)19-14)16(21)12-5-7-13(22-3)8-6-12;1-3-12-13(21-5-4-8(2)19-16(21)20-12)14(22)9-6-10(17)15(23)11(18)7-9;1-3-13-14(15(21)11-4-6-12(20)7-5-11)19-9-8-10(2)17-16(19)18-13;1-3-10(13)8-12(14)9-4-6-11(15-2)7-5-9;1-7(10)8-3-5-9(11-2)6-4-8;6-5(7,8)3-1-2-10-4(9)11-3;1-3-5(6)7-4-2/h5-10H,4H2,1-3H3;4-7,23H,3H2,1-2H3;4-9,20H,3H2,1-2H3;4-7H,3,8H2,1-2H3;3-6H,1-2H3;1-2H,(H2,9,10,11);3-4H2,1-2H3
• InChIKey: HQVMLZJALKAFPQ-UHFFFAOYSA-N
• XLogP: 15.62
• TPSA: 339.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.42
LogP ≤ 5	15.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine (CID 158560634) is (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine is CCC(=O)CC(=O)c1ccc(OC)cc1.CCOC(=O)CC.CCc1nc2nc(C)ccn2c1C(=O)c1cc(Br)c(O)c(Br)c1.CCc1nc2nc(C)ccn2c1C(=O)c1ccc(O)cc1.CCc1nc2nc(C)ccn2c1C(=O)c1ccc(OC)cc1.COc1ccc(C(C)=O)cc1.Nc1nccc(C(F)(F)F)n1.

What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is HQVMLZJALKAFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2.C16H13Br2N3O2.C16H15N3O2.C12H14O3.C9H10O2.C5H4F3N3.C5H10O2/c1-4-14-15(20-10-9-11(2)18-17(20)19-14)16(21)12-5-7-13(22-3)8-6-12;1-3-12-13(21-5-4-8(2)19-16(21)20-12)14(22)9-6-10(17)15(23)11(18)7-9;1-3-13-14(15(21)11-4-6-12(20)7-5-11)19-9-8-10(2)17-16(19)18-13;1-3-10(13)8-12(14)9-4-6-11(15-2)7-5-9;1-7(10)8-3-5-9(11-2)6-4-8;6-5(7,8)3-1-2-10-4(9)11-3;1-3-5(6)7-4-2/h5-10H,4H2,1-3H3;4-7,23H,3H2,1-2H3;4-9,20H,3H2,1-2H3;4-7H,3,8H2,1-2H3;3-6H,1-2H3;1-2H,(H2,9,10,11);3-4H2,1-2H3.

What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine?

(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 1637.42 g/mol, XLogP of 15.62, 19 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 158560634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158560634 — identifiers, structure, computed properties (public domain)

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