[2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride

C70H93BrCl5N15O11 — CID 159621439

About [2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride

[2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride (PubChem CID 159621439) has the molecular formula C70H93BrCl5N15O11 and a molecular weight of 1577.78 g/mol. Its IUPAC name is [2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride.

Molecular Properties

• Compound Name: [2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride
• PubChem CID: 159621439
• Molecular Formula: C70H93BrCl5N15O11
• Molecular Weight: 1577.78 g/mol
• Exact Mass: 1573.48
• IUPAC Name: [2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride
• SMILES: CC(C)(C)OC(=O)NCC1CCN(c2ccnc(N)n2)CC1.COc1cc(CO)c(-c2cn3ccc(N4CCC(CN)CC4)nc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CCC(CNC(=O)OC(C)(C)C)CC4)nc3n2)cc1Cl.COc1cc(CO)c(C(=O)CBr)cc1Cl.Cl.Cl
• InChI: InChI=1S/C25H32ClN5O4.C20H24ClN5O2.C15H25N5O2.C10H10BrClO3.2ClH/c1-25(2,3)35-24(33)27-13-16-5-8-30(9-6-16)22-7-10-31-14-20(28-23(31)29-22)18-12-19(26)21(34-4)11-17(18)15-32;1-28-18-8-14(12-27)15(9-16(18)21)17-11-26-7-4-19(24-20(26)23-17)25-5-2-13(10-22)3-6-25;1-15(2,3)22-14(21)18-10-11-5-8-20(9-6-11)12-4-7-17-13(16)19-12;1-15-10-2-6(5-13)7(3-8(10)12)9(14)4-11;;/h7,10-12,14,16,32H,5-6,8-9,13,15H2,1-4H3,(H,27,33);4,7-9,11,13,27H,2-3,5-6,10,12,22H2,1H3;4,7,11H,5-6,8-10H2,1-3H3,(H,18,21)(H2,16,17,19);2-3,13H,4-5H2,1H3;2*1H
• InChIKey: OVFICNIURFSVSX-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 330.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1577.78
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride?

The IUPAC name of [2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride (CID 159621439) is [2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride.

What is the SMILES notation for [2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride?

The canonical SMILES for [2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride is CC(C)(C)OC(=O)NCC1CCN(c2ccnc(N)n2)CC1.COc1cc(CO)c(-c2cn3ccc(N4CCC(CN)CC4)nc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CCC(CNC(=O)OC(C)(C)C)CC4)nc3n2)cc1Cl.COc1cc(CO)c(C(=O)CBr)cc1Cl.Cl.Cl.

What is the InChIKey of [2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride?

The InChIKey is OVFICNIURFSVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O4.C20H24ClN5O2.C15H25N5O2.C10H10BrClO3.2ClH/c1-25(2,3)35-24(33)27-13-16-5-8-30(9-6-16)22-7-10-31-14-20(28-23(31)29-22)18-12-19(26)21(34-4)11-17(18)15-32;1-28-18-8-14(12-27)15(9-16(18)21)17-11-26-7-4-19(24-20(26)23-17)25-5-2-13(10-22)3-6-25;1-15(2,3)22-14(21)18-10-11-5-8-20(9-6-11)12-4-7-17-13(16)19-12;1-15-10-2-6(5-13)7(3-8(10)12)9(14)4-11;;/h7,10-12,14,16,32H,5-6,8-9,13,15H2,1-4H3,(H,27,33);4,7-9,11,13,27H,2-3,5-6,10,12,22H2,1H3;4,7,11H,5-6,8-10H2,1-3H3,(H,18,21)(H2,16,17,19);2-3,13H,4-5H2,1H3;2*1H.

What are the key properties of [2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride?

[2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride has a molecular weight of 1577.78 g/mol, XLogP of 12.08, 18 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[7-[4-(aminomethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;tert-butyl N-[[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]methyl]carbamate;tert-butyl N-[[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]piperidin-4-yl]methyl]carbamate;dihydrochloride is sourced from PubChem (CID 159621439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).