(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine

C66H63Br2F3N12O9 — CID 158556319

About (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine

(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 158556319) has the molecular formula C66H63Br2F3N12O9 and a molecular weight of 1385.11 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 158556319
• Molecular Formula: C66H63Br2F3N12O9
• Molecular Weight: 1385.11 g/mol
• Exact Mass: 1382.32
• IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine
• SMILES: CCC(=O)CC(=O)c1ccc(OC)cc1.CCc1nc2ncc(C)cn2c1C(=O)c1cc(Br)c(O)c(Br)c1.CCc1nc2ncc(C)cn2c1C(=O)c1ccc(O)cc1.CCc1nc2ncc(C)cn2c1C(=O)c1ccc(OC)cc1.Nc1ncc(C(F)(F)F)cn1
• InChI: InChI=1S/C17H17N3O2.C16H13Br2N3O2.C16H15N3O2.C12H14O3.C5H4F3N3/c1-4-14-15(20-10-11(2)9-18-17(20)19-14)16(21)12-5-7-13(22-3)8-6-12;1-3-12-13(21-7-8(2)6-19-16(21)20-12)14(22)9-4-10(17)15(23)11(18)5-9;1-3-13-14(15(21)11-4-6-12(20)7-5-11)19-9-10(2)8-17-16(19)18-13;1-3-10(13)8-12(14)9-4-6-11(15-2)7-5-9;6-5(7,8)3-1-10-4(9)11-2-3/h5-10H,4H2,1-3H3;4-7,23H,3H2,1-2H3;4-9,20H,3H2,1-2H3;4-7H,3,8H2,1-2H3;1-2H,(H2,9,10,11)
• InChIKey: HQIMHGWASFRTCD-UHFFFAOYSA-N
• XLogP: 12.76
• TPSA: 286.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1385.11
LogP ≤ 5	12.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine (CID 158556319) is (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine is CCC(=O)CC(=O)c1ccc(OC)cc1.CCc1nc2ncc(C)cn2c1C(=O)c1cc(Br)c(O)c(Br)c1.CCc1nc2ncc(C)cn2c1C(=O)c1ccc(O)cc1.CCc1nc2ncc(C)cn2c1C(=O)c1ccc(OC)cc1.Nc1ncc(C(F)(F)F)cn1.

What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine?

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

What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine?

(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 1385.11 g/mol, XLogP of 12.76, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;1-(4-methoxyphenyl)pentane-1,3-dione;5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 158556319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).