N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole

C153H165N23O14S — CID 158809163

About N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole

N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole (PubChem CID 158809163) has the molecular formula C153H165N23O14S and a molecular weight of 2582.22 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole.

Molecular Properties

• Compound Name: N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
• PubChem CID: 158809163
• Molecular Formula: C153H165N23O14S
• Molecular Weight: 2582.22 g/mol
• Exact Mass: 2580.26
• IUPAC Name: N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
• SMILES: CC1=Cc2cc(Oc3ccnc(Nc4cccc(C(=O)CCCN(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCN5CCCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(S(=O)(=O)CCN(C)C)c4)n3)ccc2C1.COCCOc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCCN5CCCCC5)c4)n3)ccc2[nH]1
• InChI: InChI=1S/C28H32N4O2.C27H30N4O2.C26H28N4O2.C25H26N4O2.C24H26N4O3S.C23H23N3O3/c1-21-17-23-20-25(9-10-26(23)30-21)34-28-11-12-29-27(31-28)19-22-7-5-8-24(18-22)33-16-6-15-32-13-3-2-4-14-32;1-20-16-21-8-9-25(18-22(21)17-20)33-26-10-11-28-27(30-26)29-23-6-5-7-24(19-23)32-15-14-31-12-3-2-4-13-31;1-18-14-19-9-10-23(17-21(19)15-18)32-25-11-12-27-26(29-25)28-22-7-4-6-20(16-22)24(31)8-5-13-30(2)3;1-18-13-20-5-6-23(16-21(20)14-18)31-24-7-8-26-25(28-24)27-22-4-2-3-19(15-22)17-29-9-11-30-12-10-29;1-17-13-18-7-8-21(15-19(18)14-17)31-23-9-10-25-24(27-23)26-20-5-4-6-22(16-20)32(29,30)12-11-28(2)3;1-16-12-17-6-7-21(14-18(17)13-16)29-22-8-9-24-23(26-22)25-19-4-3-5-20(15-19)28-11-10-27-2/h5,7-12,17-18,20,30H,2-4,6,13-16,19H2,1H3;5-11,17-19H,2-4,12-16H2,1H3,(H,28,29,30);4,6-7,9-12,15-17H,5,8,13-14H2,1-3H3,(H,27,28,29);2-8,14-16H,9-13,17H2,1H3,(H,26,27,28);4-10,14-16H,11-13H2,1-3H3,(H,25,26,27);3-9,13-15H,10-12H2,1-2H3,(H,24,25,26)
• InChIKey: IULOGDWBVCDMBB-UHFFFAOYSA-N
• XLogP: 31.35
• TPSA: 399.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 48
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2582.22
LogP ≤ 5	31.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole?

The IUPAC name of N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole (CID 158809163) is N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole.

What is the SMILES notation for N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole?

The canonical SMILES for N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole is CC1=Cc2cc(Oc3ccnc(Nc4cccc(C(=O)CCCN(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCN5CCCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(S(=O)(=O)CCN(C)C)c4)n3)ccc2C1.COCCOc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCCN5CCCCC5)c4)n3)ccc2[nH]1.

What is the InChIKey of N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole?

The InChIKey is IULOGDWBVCDMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2.C27H30N4O2.C26H28N4O2.C25H26N4O2.C24H26N4O3S.C23H23N3O3/c1-21-17-23-20-25(9-10-26(23)30-21)34-28-11-12-29-27(31-28)19-22-7-5-8-24(18-22)33-16-6-15-32-13-3-2-4-14-32;1-20-16-21-8-9-25(18-22(21)17-20)33-26-10-11-28-27(30-26)29-23-6-5-7-24(19-23)32-15-14-31-12-3-2-4-13-31;1-18-14-19-9-10-23(17-21(19)15-18)32-25-11-12-27-26(29-25)28-22-7-4-6-20(16-22)24(31)8-5-13-30(2)3;1-18-13-20-5-6-23(16-21(20)14-18)31-24-7-8-26-25(28-24)27-22-4-2-3-19(15-22)17-29-9-11-30-12-10-29;1-17-13-18-7-8-21(15-19(18)14-17)31-23-9-10-25-24(27-23)26-20-5-4-6-22(16-20)32(29,30)12-11-28(2)3;1-16-12-17-6-7-21(14-18(17)13-16)29-22-8-9-24-23(26-22)25-19-4-3-5-20(15-19)28-11-10-27-2/h5,7-12,17-18,20,30H,2-4,6,13-16,19H2,1H3;5-11,17-19H,2-4,12-16H2,1H3,(H,28,29,30);4,6-7,9-12,15-17H,5,8,13-14H2,1-3H3,(H,27,28,29);2-8,14-16H,9-13,17H2,1H3,(H,26,27,28);4-10,14-16H,11-13H2,1-3H3,(H,25,26,27);3-9,13-15H,10-12H2,1-2H3,(H,24,25,26).

What are the key properties of N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole?

N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole has a molecular weight of 2582.22 g/mol, XLogP of 31.35, 48 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(dimethylamino)ethylsulfonyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-(dimethylamino)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidin-2-amine;2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 158809163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).