4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol

C155H166N24O14S — CID 158882417

About 4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol

4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 158882417) has the molecular formula C155H166N24O14S and a molecular weight of 2621.25 g/mol. Its IUPAC name is 4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

• Compound Name: 4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol
• PubChem CID: 158882417
• Molecular Formula: C155H166N24O14S
• Molecular Weight: 2621.25 g/mol
• Exact Mass: 2619.27
• IUPAC Name: 4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol
• SMILES: CC1=Cc2cc(Oc3ccnc(Nc4cccc(CN5CCC(CO)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CN5CCC(O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OC5CCCNC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OC5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OC5CCNCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCC5CCNCC5)c4)n3)ccc2C1
• InChI: InChI=1S/C27H30N4O2.C26H28N4O4S.2C26H28N4O2.2C25H26N4O2/c1-19-13-22-5-6-25(16-23(22)14-19)33-26-7-10-28-27(30-26)29-24-4-2-3-21(15-24)17-31-11-8-20(18-32)9-12-31;1-18-14-19-6-7-24(16-20(19)15-18)34-25-8-11-27-26(29-25)28-21-4-3-5-23(17-21)33-22-9-12-30(13-10-22)35(2,31)32;1-18-13-20-5-6-24(15-21(20)14-18)32-25-9-12-28-26(30-25)29-22-3-2-4-23(16-22)31-17-19-7-10-27-11-8-19;1-18-13-20-5-6-24(16-21(20)14-18)32-25-7-10-27-26(29-25)28-22-4-2-3-19(15-22)17-30-11-8-23(31)9-12-30;1-17-12-18-7-8-22(14-19(18)13-17)31-24-9-11-27-25(29-24)28-20-4-2-5-21(15-20)30-23-6-3-10-26-16-23;1-17-13-18-5-6-23(15-19(18)14-17)31-24-9-12-27-25(29-24)28-20-3-2-4-22(16-20)30-21-7-10-26-11-8-21/h2-7,10,14-16,20,32H,8-9,11-13,17-18H2,1H3,(H,28,29,30);3-8,11,15-17,22H,9-10,12-14H2,1-2H3,(H,27,28,29);2-6,9,12,14-16,19,27H,7-8,10-11,13,17H2,1H3,(H,28,29,30);2-7,10,14-16,23,31H,8-9,11-13,17H2,1H3,(H,27,28,29);2,4-5,7-9,11,13-15,23,26H,3,6,10,12,16H2,1H3,(H,27,28,29);2-6,9,12,14-16,21,26H,7-8,10-11,13H2,1H3,(H,27,28,29)
• InChIKey: JDEOTGUFFUYHPS-UHFFFAOYSA-N
• XLogP: 30.44
• TPSA: 439.57 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 39
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2621.25
LogP ≤ 5	30.44
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol?

The IUPAC name of 4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol (CID 158882417) is 4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol.

What is the SMILES notation for 4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol?

The canonical SMILES for 4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol is CC1=Cc2cc(Oc3ccnc(Nc4cccc(CN5CCC(CO)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CN5CCC(O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OC5CCCNC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OC5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OC5CCNCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCC5CCNCC5)c4)n3)ccc2C1.

What is the InChIKey of 4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol?

The InChIKey is JDEOTGUFFUYHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2.C26H28N4O4S.2C26H28N4O2.2C25H26N4O2/c1-19-13-22-5-6-25(16-23(22)14-19)33-26-7-10-28-27(30-26)29-24-4-2-3-21(15-24)17-31-11-8-20(18-32)9-12-31;1-18-14-19-6-7-24(16-20(19)15-18)34-25-8-11-27-26(29-25)28-21-4-3-5-23(17-21)33-22-9-12-30(13-10-22)35(2,31)32;1-18-13-20-5-6-24(15-21(20)14-18)32-25-9-12-28-26(30-25)29-22-3-2-4-23(16-22)31-17-19-7-10-27-11-8-19;1-18-13-20-5-6-24(16-21(20)14-18)32-25-7-10-27-26(29-25)28-22-4-2-3-19(15-22)17-30-11-8-23(31)9-12-30;1-17-12-18-7-8-22(14-19(18)13-17)31-24-9-11-27-25(29-24)28-20-4-2-5-21(15-20)30-23-6-3-10-26-16-23;1-17-13-18-5-6-23(15-19(18)14-17)31-24-9-12-27-25(29-24)28-20-3-2-4-22(16-20)30-21-7-10-26-11-8-21/h2-7,10,14-16,20,32H,8-9,11-13,17-18H2,1H3,(H,28,29,30);3-8,11,15-17,22H,9-10,12-14H2,1-2H3,(H,27,28,29);2-6,9,12,14-16,19,27H,7-8,10-11,13,17H2,1H3,(H,28,29,30);2-7,10,14-16,23,31H,8-9,11-13,17H2,1H3,(H,27,28,29);2,4-5,7-9,11,13-15,23,26H,3,6,10,12,16H2,1H3,(H,27,28,29);2-6,9,12,14-16,21,26H,7-8,10-11,13H2,1H3,(H,27,28,29).

What are the key properties of 4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol?

4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 2621.25 g/mol, XLogP of 30.44, 39 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine;1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 158882417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).