2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone

C109H103N17O10 — CID 159446326

About 2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone

2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone (PubChem CID 159446326) has the molecular formula C109H103N17O10 and a molecular weight of 1811.13 g/mol. Its IUPAC name is 2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone
• PubChem CID: 159446326
• Molecular Formula: C109H103N17O10
• Molecular Weight: 1811.13 g/mol
• Exact Mass: 1809.81
• IUPAC Name: 2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone
• SMILES: Cc1cccc(C(=O)Cc2ccc(C)c(Oc3nc(-c4cccnc4)nc4cc[nH]c34)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Oc3nc(N4CC(C)OC(C)C4)nc4ccn(C)c34)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Oc3nc(N4CCOCC4)nc4ccn(C)c34)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Oc3nc(-c4cccnc4)nc4cc[nH]c34)c2)c1
• InChI: InChI=1S/C29H32N4O3.C27H28N4O3.C27H22N4O2.C26H21N5O2/c1-18-7-6-8-23(13-18)25(34)14-22-10-9-19(2)26(15-22)36-28-27-24(11-12-32(27)5)30-29(31-28)33-16-20(3)35-21(4)17-33;1-18-5-4-6-21(15-18)23(32)16-20-8-7-19(2)24(17-20)34-26-25-22(9-10-30(25)3)28-27(29-26)31-11-13-33-14-12-31;1-17-5-3-6-20(13-17)23(32)14-19-9-8-18(2)24(15-19)33-27-25-22(10-12-29-25)30-26(31-27)21-7-4-11-28-16-21;1-16-5-3-7-20(13-16)29-25(32)18-9-8-17(2)22(14-18)33-26-23-21(10-12-28-23)30-24(31-26)19-6-4-11-27-15-19/h6-13,15,20-21H,14,16-17H2,1-5H3;4-10,15,17H,11-14,16H2,1-3H3;3-13,15-16,29H,14H2,1-2H3;3-15,28H,1-2H3,(H,29,32)
• InChIKey: LSUPCVBVSDBGRM-UHFFFAOYSA-N
• XLogP: 21.59
• TPSA: 312.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1811.13
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone?

The IUPAC name of 2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone (CID 159446326) is 2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone.

What is the SMILES notation for 2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone?

The canonical SMILES for 2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone is Cc1cccc(C(=O)Cc2ccc(C)c(Oc3nc(-c4cccnc4)nc4cc[nH]c34)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Oc3nc(N4CC(C)OC(C)C4)nc4ccn(C)c34)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Oc3nc(N4CCOCC4)nc4ccn(C)c34)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Oc3nc(-c4cccnc4)nc4cc[nH]c34)c2)c1.

What is the InChIKey of 2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone?

The InChIKey is LSUPCVBVSDBGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3.C27H28N4O3.C27H22N4O2.C26H21N5O2/c1-18-7-6-8-23(13-18)25(34)14-22-10-9-19(2)26(15-22)36-28-27-24(11-12-32(27)5)30-29(31-28)33-16-20(3)35-21(4)17-33;1-18-5-4-6-21(15-18)23(32)16-20-8-7-19(2)24(17-20)34-26-25-22(9-10-30(25)3)28-27(29-26)31-11-13-33-14-12-31;1-17-5-3-6-20(13-17)23(32)14-19-9-8-18(2)24(15-19)33-27-25-22(10-12-29-25)30-26(31-27)21-7-4-11-28-16-21;1-16-5-3-7-20(13-16)29-25(32)18-9-8-17(2)22(14-18)33-26-23-21(10-12-28-23)30-24(31-26)19-6-4-11-27-15-19/h6-13,15,20-21H,14,16-17H2,1-5H3;4-10,15,17H,11-14,16H2,1-3H3;3-13,15-16,29H,14H2,1-2H3;3-15,28H,1-2H3,(H,29,32).

What are the key properties of 2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone?

2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone has a molecular weight of 1811.13 g/mol, XLogP of 21.59, 23 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]ethanone is sourced from PubChem (CID 159446326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).