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

C62H54Br2F4N12O9 — CID 159806880

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

(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(4-methoxyphenyl)pentane-1,3-dione (PubChem CID 159806880) has the molecular formula C62H54Br2F4N12O9 and a molecular weight of 1346.99 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(4-methoxyphenyl)pentane-1,3-dione.

Molecular Properties

• Compound Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(4-methoxyphenyl)pentane-1,3-dione
• PubChem CID: 159806880
• Molecular Formula: C62H54Br2F4N12O9
• Molecular Weight: 1346.99 g/mol
• Exact Mass: 1344.24
• IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(4-methoxyphenyl)pentane-1,3-dione
• SMILES: CCC(=O)CC(=O)c1ccc(OC)cc1.CCc1nc2ncc(F)cn2c1C(=O)c1cc(Br)c(O)c(Br)c1.CCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)cc1.CCc1nc2ncc(F)cn2c1C(=O)c1ccc(OC)cc1.Nc1ncc(F)cn1
• InChI: InChI=1S/C16H14FN3O2.C15H10Br2FN3O2.C15H12FN3O2.C12H14O3.C4H4FN3/c1-3-13-14(20-9-11(17)8-18-16(20)19-13)15(21)10-4-6-12(22-2)7-5-10;1-2-11-12(21-6-8(18)5-19-15(21)20-11)13(22)7-3-9(16)14(23)10(17)4-7;1-2-12-13(14(21)9-3-5-11(20)6-4-9)19-8-10(16)7-17-15(19)18-12;1-3-10(13)8-12(14)9-4-6-11(15-2)7-5-9;5-3-1-7-4(6)8-2-3/h4-9H,3H2,1-2H3;3-6,23H,2H2,1H3;3-8,20H,2H2,1H3;4-7H,3,8H2,1-2H3;1-2H,(H2,6,7,8)
• InChIKey: NKMXUPJSJAANTC-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 286.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1346.99
LogP ≤ 5	11.38
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-fluoroimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(4-methoxyphenyl)pentane-1,3-dione?

The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(4-methoxyphenyl)pentane-1,3-dione (CID 159806880) is (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(4-methoxyphenyl)pentane-1,3-dione.

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

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

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

The InChIKey is NKMXUPJSJAANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2.C15H10Br2FN3O2.C15H12FN3O2.C12H14O3.C4H4FN3/c1-3-13-14(20-9-11(17)8-18-16(20)19-13)15(21)10-4-6-12(22-2)7-5-10;1-2-11-12(21-6-8(18)5-19-15(21)20-11)13(22)7-3-9(16)14(23)10(17)4-7;1-2-12-13(14(21)9-3-5-11(20)6-4-9)19-8-10(16)7-17-15(19)18-12;1-3-10(13)8-12(14)9-4-6-11(15-2)7-5-9;5-3-1-7-4(6)8-2-3/h4-9H,3H2,1-2H3;3-6,23H,2H2,1H3;3-8,20H,2H2,1H3;4-7H,3,8H2,1-2H3;1-2H,(H2,6,7,8).

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

(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(4-methoxyphenyl)pentane-1,3-dione has a molecular weight of 1346.99 g/mol, XLogP of 11.38, 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-fluoroimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;5-fluoropyrimidin-2-amine;1-(4-methoxyphenyl)pentane-1,3-dione is sourced from PubChem (CID 159806880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).