N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide

C149H153N23O15S — CID 159280904

About N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide

N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide (PubChem CID 159280904) has the molecular formula C149H153N23O15S and a molecular weight of 2538.08 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide.

Molecular Properties

• Compound Name: N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide
• PubChem CID: 159280904
• Molecular Formula: C149H153N23O15S
• Molecular Weight: 2538.08 g/mol
• Exact Mass: 2536.16
• IUPAC Name: N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide
• SMILES: CC1=Cc2cc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CCS(C)(=O)=O)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCN)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCN5CCNCC5)c4)n3)ccc2C1.CCCCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CNC(=O)CCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1
• InChI: InChI=1S/C28H30N4O3.C26H29N5O2.C25H24N4O3.C25H25N3O2.C23H23N3O3S.C22H22N4O2/c1-20-16-21-7-8-25(19-23(21)17-20)35-27-9-10-29-28(31-27)30-24-5-2-4-22(18-24)26(33)6-3-11-32-12-14-34-15-13-32;1-19-15-20-5-6-24(17-21(20)16-19)33-25-7-8-28-26(30-25)29-22-3-2-4-23(18-22)32-14-13-31-11-9-27-10-12-31;1-16-12-17-6-7-21(15-19(17)13-16)32-24-10-11-27-25(29-24)28-20-5-3-4-18(14-20)22(30)8-9-23(31)26-2;1-3-4-8-23(29)19-6-5-7-21(15-19)27-25-26-12-11-24(28-25)30-22-10-9-18-13-17(2)14-20(18)16-22;1-16-12-18-6-7-21(15-19(18)13-16)29-22-8-10-24-23(26-22)25-20-5-3-4-17(14-20)9-11-30(2,27)28;1-15-11-16-5-6-20(13-17(16)12-15)28-21-7-9-24-22(26-21)25-18-3-2-4-19(14-18)27-10-8-23/h2,4-5,7-10,17-19H,3,6,11-16H2,1H3,(H,29,30,31);2-8,16-18,27H,9-15H2,1H3,(H,28,29,30);3-7,10-11,13-15H,8-9,12H2,1-2H3,(H,26,31)(H,27,28,29);5-7,9-12,14-16H,3-4,8,13H2,1-2H3,(H,26,27,28);3-8,10,13-15H,9,11-12H2,1-2H3,(H,24,25,26);2-7,9,12-14H,8,10-11,23H2,1H3,(H,24,25,26)
• InChIKey: KYXFAQIAURFCHH-UHFFFAOYSA-N
• XLogP: 29.42
• TPSA: 468.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 47
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2538.08
LogP ≤ 5	29.42
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide?

The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide (CID 159280904) is N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide.

What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide?

The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide is CC1=Cc2cc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CCS(C)(=O)=O)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCN)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCN5CCNCC5)c4)n3)ccc2C1.CCCCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CNC(=O)CCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.

What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide?

The InChIKey is KYXFAQIAURFCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3.C26H29N5O2.C25H24N4O3.C25H25N3O2.C23H23N3O3S.C22H22N4O2/c1-20-16-21-7-8-25(19-23(21)17-20)35-27-9-10-29-28(31-27)30-24-5-2-4-22(18-24)26(33)6-3-11-32-12-14-34-15-13-32;1-19-15-20-5-6-24(17-21(20)16-19)33-25-7-8-28-26(30-25)29-22-3-2-4-23(18-22)32-14-13-31-11-9-27-10-12-31;1-16-12-17-6-7-21(15-19(17)13-16)32-24-10-11-27-25(29-24)28-20-5-3-4-18(14-20)22(30)8-9-23(31)26-2;1-3-4-8-23(29)19-6-5-7-21(15-19)27-25-26-12-11-24(28-25)30-22-10-9-18-13-17(2)14-20(18)16-22;1-16-12-18-6-7-21(15-19(18)13-16)29-22-8-10-24-23(26-22)25-20-5-3-4-17(14-20)9-11-30(2,27)28;1-15-11-16-5-6-20(13-17(16)12-15)28-21-7-9-24-22(26-21)25-18-3-2-4-19(14-18)27-10-8-23/h2,4-5,7-10,17-19H,3,6,11-16H2,1H3,(H,29,30,31);2-8,16-18,27H,9-15H2,1H3,(H,28,29,30);3-7,10-11,13-15H,8-9,12H2,1-2H3,(H,26,31)(H,27,28,29);5-7,9-12,14-16H,3-4,8,13H2,1-2H3,(H,26,27,28);3-8,10,13-15H,9,11-12H2,1-2H3,(H,24,25,26);2-7,9,12-14H,8,10-11,23H2,1H3,(H,24,25,26).

What are the key properties of N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide?

N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide has a molecular weight of 2538.08 g/mol, XLogP of 29.42, 47 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide is sourced from PubChem (CID 159280904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).