1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane

C123H147N27O17 — CID 157416513

About 1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane

1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 157416513) has the molecular formula C123H147N27O17 and a molecular weight of 2275.70 g/mol. Its IUPAC name is 1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane
• PubChem CID: 157416513
• Molecular Formula: C123H147N27O17
• Molecular Weight: 2275.70 g/mol
• Exact Mass: 2274.15
• IUPAC Name: 1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane
• SMILES: CCN1CCN(c2cc(C3=NCc4ccc(OCCOC)cc43)ncn2)CC1.CCN1CCN(c2cc(C3=NCc4ccc(OCCOC)cc43)ncn2)CC1=O.COCCOc1ccc2c(c1)C(c1cc(N3CC4CCC(C3)O4)ncn1)=NC2.COCCOc1ccc2c(c1)C(c1cc(N3CCN(C)C(=O)C3)ncn1)=NC2.COCCOc1ccc2c(c1)C(c1cc(N3CCO[C@@H](C)C3)ncn1)=NC2.COCCOc1ccc2c(c1)C(c1cc(N3CCO[C@H](C)C3)ncn1)=NC2
• InChI: InChI=1S/C21H25N5O3.C21H27N5O2.C21H24N4O3.C20H23N5O3.2C20H24N4O3/c1-3-25-6-7-26(13-20(25)27)19-11-18(23-14-24-19)21-17-10-16(29-9-8-28-2)5-4-15(17)12-22-21;1-3-25-6-8-26(9-7-25)20-13-19(23-15-24-20)21-18-12-17(28-11-10-27-2)5-4-16(18)14-22-21;1-26-6-7-27-15-3-2-14-10-22-21(18(14)8-15)19-9-20(24-13-23-19)25-11-16-4-5-17(12-25)28-16;1-24-5-6-25(12-19(24)26)18-10-17(22-13-23-18)20-16-9-15(28-8-7-27-2)4-3-14(16)11-21-20;2*1-14-12-24(5-6-26-14)19-10-18(22-13-23-19)20-17-9-16(27-8-7-25-2)4-3-15(17)11-21-20/h4-5,10-11,14H,3,6-9,12-13H2,1-2H3;4-5,12-13,15H,3,6-11,14H2,1-2H3;2-3,8-9,13,16-17H,4-7,10-12H2,1H3;3-4,9-10,13H,5-8,11-12H2,1-2H3;2*3-4,9-10,13-14H,5-8,11-12H2,1-2H3/t;;;;2*14-/m....10/s1
• InChIKey: BOXIIINONMRJHL-MXMWAPGXSA-N
• XLogP: 11.02
• TPSA: 430.59 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 38
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2275.70
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane?

The IUPAC name of 1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 157416513) is 1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane.

What is the SMILES notation for 1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane?

The canonical SMILES for 1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane is CCN1CCN(c2cc(C3=NCc4ccc(OCCOC)cc43)ncn2)CC1.CCN1CCN(c2cc(C3=NCc4ccc(OCCOC)cc43)ncn2)CC1=O.COCCOc1ccc2c(c1)C(c1cc(N3CC4CCC(C3)O4)ncn1)=NC2.COCCOc1ccc2c(c1)C(c1cc(N3CCN(C)C(=O)C3)ncn1)=NC2.COCCOc1ccc2c(c1)C(c1cc(N3CCO[C@@H](C)C3)ncn1)=NC2.COCCOc1ccc2c(c1)C(c1cc(N3CCO[C@H](C)C3)ncn1)=NC2.

What is the InChIKey of 1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane?

The InChIKey is BOXIIINONMRJHL-MXMWAPGXSA-N. The full InChI is InChI=1S/C21H25N5O3.C21H27N5O2.C21H24N4O3.C20H23N5O3.2C20H24N4O3/c1-3-25-6-7-26(13-20(25)27)19-11-18(23-14-24-19)21-17-10-16(29-9-8-28-2)5-4-15(17)12-22-21;1-3-25-6-8-26(9-7-25)20-13-19(23-15-24-20)21-18-12-17(28-11-10-27-2)5-4-16(18)14-22-21;1-26-6-7-27-15-3-2-14-10-22-21(18(14)8-15)19-9-20(24-13-23-19)25-11-16-4-5-17(12-25)28-16;1-24-5-6-25(12-19(24)26)18-10-17(22-13-23-18)20-16-9-15(28-8-7-27-2)4-3-14(16)11-21-20;2*1-14-12-24(5-6-26-14)19-10-18(22-13-23-19)20-17-9-16(27-8-7-25-2)4-3-15(17)11-21-20/h4-5,10-11,14H,3,6-9,12-13H2,1-2H3;4-5,12-13,15H,3,6-11,14H2,1-2H3;2-3,8-9,13,16-17H,4-7,10-12H2,1H3;3-4,9-10,13H,5-8,11-12H2,1-2H3;2*3-4,9-10,13-14H,5-8,11-12H2,1-2H3/t;;;;2*14-/m....10/s1.

What are the key properties of 1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane?

1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 2275.70 g/mol, XLogP of 11.02, 38 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 157416513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).