[2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper

C62H81BrCl3Cu2N19O7 — CID 159604212

IUPAC[2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper
SMILESCOc1cc(CO)c(-c2cn3cc(Br)c(N4CCCCC4)nc3n2)cc1Cl.COc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCCCC4)nc3n2)cc1Cl.COc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl.NCCN.O=[Cu].[Cu]
InChIInChI=1S/C21H27ClN6O2.C20H26ClN7O2.C19H20BrClN4O2.C2H8N2.2Cu.O/c1-30-19-9-14(13-29)15(10-16(19)22)17-11-28-12-18(24-6-5-23)20(26-21(28)25-17)27-7-3-2-4-8-27;1-30-18-8-13(12-29)14(9-15(18)21)16-10-28-11-17(24-3-2-22)19(26-20(28)25-16)27-6-4-23-5-7-27;1-27-17-7-12(11-26)13(8-15(17)21)16-10-25-9-14(20)18(23-19(25)22-16)24-5-3-2-4-6-24;3-1-2-4;;;/h9-12,24,29H,2-8,13,23H2,1H3;8-11,23-24,29H,2-7,12,22H2,1H3;7-10,26H,2-6,11H2,1H3;1-4H2;;;
InChIKeyGOOQLCYYGJXPNE-UHFFFAOYSA-N
MW1517.81 g/mol
LogP7.33
Rot. Bonds19

About [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper

[2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper (PubChem CID 159604212) has the molecular formula C62H81BrCl3Cu2N19O7 and a molecular weight of 1517.81 g/mol. Its IUPAC name is [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper.

Molecular Properties

Compound Name[2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper
PubChem CID159604212
Molecular FormulaC62H81BrCl3Cu2N19O7
Molecular Weight1517.81 g/mol
Exact Mass1513.34
IUPAC Name[2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper
SMILESCOc1cc(CO)c(-c2cn3cc(Br)c(N4CCCCC4)nc3n2)cc1Cl.COc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCCCC4)nc3n2)cc1Cl.COc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl.NCCN.O=[Cu].[Cu]
InChIInChI=1S/C21H27ClN6O2.C20H26ClN7O2.C19H20BrClN4O2.C2H8N2.2Cu.O/c1-30-19-9-14(13-29)15(10-16(19)22)17-11-28-12-18(24-6-5-23)20(26-21(28)25-17)27-7-3-2-4-8-27;1-30-18-8-13(12-29)14(9-15(18)21)16-10-28-11-17(24-3-2-22)19(26-20(28)25-16)27-6-4-23-5-7-27;1-27-17-7-12(11-26)13(8-15(17)21)16-10-25-9-14(20)18(23-19(25)22-16)24-5-3-2-4-6-24;3-1-2-4;;;/h9-12,24,29H,2-8,13,23H2,1H3;8-11,23-24,29H,2-7,12,22H2,1H3;7-10,26H,2-6,11H2,1H3;1-4H2;;;
InChIKeyGOOQLCYYGJXPNE-UHFFFAOYSA-N
XLogP7.33
TPSA345.91 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001517.81
LogP ≤ 57.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper with MolForge

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Related Compounds

US10508109, Example 208
CID 140914392
US10508109, Example 302
CID 140914795
US10508109, Example 281
CID 140914848
US10508109, Example 303
CID 154702341
US10508109, Example 276
CID 140914380
US10508109, Example 27
CID 140914384
US10508109, Example 295
CID 140914390
US10508109, Example 54
CID 140914395
US10508109, Example 294
CID 140914400
US10508109, Example 235
CID 140914408
US10508109, Example 221
CID 140914421
US10508109, Example 34
CID 140914434

Frequently Asked Questions

What is the IUPAC name of [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper?
The IUPAC name of [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper (CID 159604212) is [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper.
What is the SMILES notation for [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper?
The canonical SMILES for [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper is COc1cc(CO)c(-c2cn3cc(Br)c(N4CCCCC4)nc3n2)cc1Cl.COc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCCCC4)nc3n2)cc1Cl.COc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl.NCCN.O=[Cu].[Cu].
What is the InChIKey of [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper?
The InChIKey is GOOQLCYYGJXPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O2.C20H26ClN7O2.C19H20BrClN4O2.C2H8N2.2Cu.O/c1-30-19-9-14(13-29)15(10-16(19)22)17-11-28-12-18(24-6-5-23)20(26-21(28)25-17)27-7-3-2-4-8-27;1-30-18-8-13(12-29)14(9-15(18)21)16-10-28-11-17(24-3-2-22)19(26-20(28)25-16)27-6-4-23-5-7-27;1-27-17-7-12(11-26)13(8-15(17)21)16-10-25-9-14(20)18(23-19(25)22-16)24-5-3-2-4-6-24;3-1-2-4;;;/h9-12,24,29H,2-8,13,23H2,1H3;8-11,23-24,29H,2-7,12,22H2,1H3;7-10,26H,2-6,11H2,1H3;1-4H2;;;.
What are the key properties of [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper?
[2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper has a molecular weight of 1517.81 g/mol, XLogP of 7.33, 19 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-[6-(2-aminoethylamino)-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(6-bromo-7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol;copper;ethane-1,2-diamine;oxocopper is sourced from PubChem (CID 159604212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).