N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol

C120H124N18O13S — CID 158532554

About N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol

N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol (PubChem CID 158532554) has the molecular formula C120H124N18O13S and a molecular weight of 2058.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol
• PubChem CID: 158532554
• Molecular Formula: C120H124N18O13S
• Molecular Weight: 2058.49 g/mol
• Exact Mass: 2056.93
• IUPAC Name: N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol
• SMILES: CC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NC5CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCCN(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCN(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCO)c4)n3)ccc2C1
• InChI: InChI=1S/C25H24N4O2.C25H28N4O2.C24H26N4O2.C24H25N3O4S.C22H21N3O3/c1-16-11-18-5-8-22(15-19(18)12-16)31-24-9-10-26-25(29-24)28-21-4-2-3-17(13-21)14-23(30)27-20-6-7-20;1-18-14-19-8-9-23(16-20(19)15-18)31-24-10-11-26-25(28-24)27-21-6-4-7-22(17-21)30-13-5-12-29(2)3;1-17-13-18-7-8-22(15-19(18)14-17)30-23-9-10-25-24(27-23)26-20-5-4-6-21(16-20)29-12-11-28(2)3;1-17-13-18-7-8-22(15-19(18)14-17)31-23-9-10-25-24(27-23)26-20-5-3-6-21(16-20)30-11-4-12-32(2,28)29;1-15-11-16-5-6-20(13-17(16)12-15)28-21-7-8-23-22(25-21)24-18-3-2-4-19(14-18)27-10-9-26/h2-5,8-10,12-13,15,20H,6-7,11,14H2,1H3,(H,27,30)(H,26,28,29);4,6-11,15-17H,5,12-14H2,1-3H3,(H,26,27,28);4-10,14-16H,11-13H2,1-3H3,(H,25,26,27);3,5-10,14-16H,4,11-13H2,1-2H3,(H,25,26,27);2-8,12-14,26H,9-11H2,1H3,(H,23,24,25)
• InChIKey: HNNWCVMUDMWBEQ-UHFFFAOYSA-N
• XLogP: 24.14
• TPSA: 362.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.49
LogP ≤ 5	24.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol?

The IUPAC name of N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol (CID 158532554) is N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol.

What is the SMILES notation for N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol?

The canonical SMILES for N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol is CC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NC5CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCCN(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCN(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCO)c4)n3)ccc2C1.

What is the InChIKey of N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol?

The InChIKey is HNNWCVMUDMWBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2.C25H28N4O2.C24H26N4O2.C24H25N3O4S.C22H21N3O3/c1-16-11-18-5-8-22(15-19(18)12-16)31-24-9-10-26-25(29-24)28-21-4-2-3-17(13-21)14-23(30)27-20-6-7-20;1-18-14-19-8-9-23(16-20(19)15-18)31-24-10-11-26-25(28-24)27-21-6-4-7-22(17-21)30-13-5-12-29(2)3;1-17-13-18-7-8-22(15-19(18)14-17)30-23-9-10-25-24(27-23)26-20-5-4-6-21(16-20)29-12-11-28(2)3;1-17-13-18-7-8-22(15-19(18)14-17)31-23-9-10-25-24(27-23)26-20-5-3-6-21(16-20)30-11-4-12-32(2,28)29;1-15-11-16-5-6-20(13-17(16)12-15)28-21-7-8-23-22(25-21)24-18-3-2-4-19(14-18)27-10-9-26/h2-5,8-10,12-13,15,20H,6-7,11,14H2,1H3,(H,27,30)(H,26,28,29);4,6-11,15-17H,5,12-14H2,1-3H3,(H,26,27,28);4-10,14-16H,11-13H2,1-3H3,(H,25,26,27);3,5-10,14-16H,4,11-13H2,1-2H3,(H,25,26,27);2-8,12-14,26H,9-11H2,1H3,(H,23,24,25).

What are the key properties of N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol?

N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol has a molecular weight of 2058.49 g/mol, XLogP of 24.14, 40 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol is sourced from PubChem (CID 158532554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).