2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride

C126H159BrCl7N25O14 — CID 159661514

About 2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride

2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride (PubChem CID 159661514) has the molecular formula C126H159BrCl7N25O14 and a molecular weight of 2575.89 g/mol. Its IUPAC name is 2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride.

Molecular Properties

• Compound Name: 2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride
• PubChem CID: 159661514
• Molecular Formula: C126H159BrCl7N25O14
• Molecular Weight: 2575.89 g/mol
• Exact Mass: 2569.95
• IUPAC Name: 2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride
• SMILES: C1CCOC1.CC(C)(C)OC(=O)N1CCN(c2ccnc(N)n2)CC1.CN(C)CCCCl.COc1cc(O)c(-c2cn3ccc(N4CCCCC4)nc3n2)cc1Cl.COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCCCC4)nc3n2)cc1Cl.COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCNCC4)nc3n2)cc1Cl.COc1cc(OCc2ccccc2)c(-c2cn3ccc(N4CCCCC4)nc3n2)cc1Cl.COc1cc(OCc2ccccc2)c(C(=O)CBr)cc1Cl.Cl
• InChI: InChI=1S/C25H25ClN4O2.C23H30ClN5O2.C22H29ClN6O2.C18H19ClN4O2.C16H14BrClO3.C13H21N5O2.C5H12ClN.C4H8O.ClH/c1-31-23-15-22(32-17-18-8-4-2-5-9-18)19(14-20(23)26)21-16-30-13-10-24(28-25(30)27-21)29-11-6-3-7-12-29;1-27(2)9-7-13-31-20-15-21(30-3)18(24)14-17(20)19-16-29-12-8-22(26-23(29)25-19)28-10-5-4-6-11-28;1-27(2)8-4-12-31-19-14-20(30-3)17(23)13-16(19)18-15-29-9-5-21(26-22(29)25-18)28-10-6-24-7-11-28;1-25-16-10-15(24)12(9-13(16)19)14-11-23-8-5-17(21-18(23)20-14)22-6-3-2-4-7-22;1-20-16-8-15(12(7-13(16)18)14(19)9-17)21-10-11-5-3-2-4-6-11;1-13(2,3)20-12(19)18-8-6-17(7-9-18)10-4-5-15-11(14)16-10;1-7(2)5-3-4-6;1-2-4-5-3-1;/h2,4-5,8-10,13-16H,3,6-7,11-12,17H2,1H3;8,12,14-16H,4-7,9-11,13H2,1-3H3;5,9,13-15,24H,4,6-8,10-12H2,1-3H3;5,8-11,24H,2-4,6-7H2,1H3;2-8H,9-10H2,1H3;4-5H,6-9H2,1-3H3,(H2,14,15,16);3-5H2,1-2H3;1-4H2;1H
• InChIKey: YHEFRZIYFSWWNI-UHFFFAOYSA-N
• XLogP: 24.58
• TPSA: 369.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 35
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2575.89
LogP ≤ 5	24.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride?

The IUPAC name of 2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride (CID 159661514) is 2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride.

What is the SMILES notation for 2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride?

The canonical SMILES for 2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride is C1CCOC1.CC(C)(C)OC(=O)N1CCN(c2ccnc(N)n2)CC1.CN(C)CCCCl.COc1cc(O)c(-c2cn3ccc(N4CCCCC4)nc3n2)cc1Cl.COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCCCC4)nc3n2)cc1Cl.COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCNCC4)nc3n2)cc1Cl.COc1cc(OCc2ccccc2)c(-c2cn3ccc(N4CCCCC4)nc3n2)cc1Cl.COc1cc(OCc2ccccc2)c(C(=O)CBr)cc1Cl.Cl.

What is the InChIKey of 2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride?

The InChIKey is YHEFRZIYFSWWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2.C23H30ClN5O2.C22H29ClN6O2.C18H19ClN4O2.C16H14BrClO3.C13H21N5O2.C5H12ClN.C4H8O.ClH/c1-31-23-15-22(32-17-18-8-4-2-5-9-18)19(14-20(23)26)21-16-30-13-10-24(28-25(30)27-21)29-11-6-3-7-12-29;1-27(2)9-7-13-31-20-15-21(30-3)18(24)14-17(20)19-16-29-12-8-22(26-23(29)25-19)28-10-5-4-6-11-28;1-27(2)8-4-12-31-19-14-20(30-3)17(23)13-16(19)18-15-29-9-5-21(26-22(29)25-18)28-10-6-24-7-11-28;1-25-16-10-15(24)12(9-13(16)19)14-11-23-8-5-17(21-18(23)20-14)22-6-3-2-4-7-22;1-20-16-8-15(12(7-13(16)18)14(19)9-17)21-10-11-5-3-2-4-6-11;1-13(2,3)20-12(19)18-8-6-17(7-9-18)10-4-5-15-11(14)16-10;1-7(2)5-3-4-6;1-2-4-5-3-1;/h2,4-5,8-10,13-16H,3,6-7,11-12,17H2,1H3;8,12,14-16H,4-7,9-11,13H2,1-3H3;5,9,13-15,24H,4,6-8,10-12H2,1-3H3;5,8-11,24H,2-4,6-7H2,1H3;2-8H,9-10H2,1H3;4-5H,6-9H2,1-3H3,(H2,14,15,16);3-5H2,1-2H3;1-4H2;1H.

What are the key properties of 2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride?

2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride has a molecular weight of 2575.89 g/mol, XLogP of 24.58, 35 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride is sourced from PubChem (CID 159661514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).