2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol

C96H117FN36O7 — CID 159046394

About 2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol

2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol (PubChem CID 159046394) has the molecular formula C96H117FN36O7 and a molecular weight of 1906.23 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol.

Molecular Properties

• Compound Name: 2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol
• PubChem CID: 159046394
• Molecular Formula: C96H117FN36O7
• Molecular Weight: 1906.23 g/mol
• Exact Mass: 1904.99
• IUPAC Name: 2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol
• SMILES: CCn1cnc2c(Nc3ccc(OC)cc3)nc(NCCO)nc21.Cc1ccc(C)c(Nc2nc(NCCO)nc3c2cnn3C)c1.Cc1ccc(Nc2nc(NCCO)nc3c2cnn3C(C)C)cc1.Cc1ccc(Nc2nc(NCCO)nc3c2ncn3-c2ccccc2)cc1.Cn1ncc2c(N3CCCCC3)nc(NCCO)nc21.Cn1ncc2c(Nc3ccc(F)cc3)nc(NCCO)nc21
• InChI: InChI=1S/C20H20N6O.C17H22N6O.C16H20N6O2.C16H20N6O.C14H15FN6O.C13H20N6O/c1-14-7-9-15(10-8-14)23-18-17-19(25-20(24-18)21-11-12-27)26(13-22-17)16-5-3-2-4-6-16;1-11(2)23-16-14(10-19-23)15(21-17(22-16)18-8-9-24)20-13-6-4-12(3)5-7-13;1-3-22-10-18-13-14(19-11-4-6-12(24-2)7-5-11)20-16(17-8-9-23)21-15(13)22;1-10-4-5-11(2)13(8-10)19-14-12-9-18-22(3)15(12)21-16(20-14)17-6-7-23;1-21-13-11(8-17-21)12(19-14(20-13)16-6-7-22)18-10-4-2-9(15)3-5-10;1-18-11-10(9-15-18)12(19-6-3-2-4-7-19)17-13(16-11)14-5-8-20/h2-10,13,27H,11-12H2,1H3,(H2,21,23,24,25);4-7,10-11,24H,8-9H2,1-3H3,(H2,18,20,21,22);4-7,10,23H,3,8-9H2,1-2H3,(H2,17,19,20,21);4-5,8-9,23H,6-7H2,1-3H3,(H2,17,19,20,21);2-5,8,22H,6-7H2,1H3,(H2,16,18,19,20);9,20H,2-8H2,1H3,(H,14,16,17)
• InChIKey: JWSBEEPBAPYTSY-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 527.78 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1906.23
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol?

The IUPAC name of 2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol (CID 159046394) is 2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol.

What is the SMILES notation for 2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol?

The canonical SMILES for 2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol is CCn1cnc2c(Nc3ccc(OC)cc3)nc(NCCO)nc21.Cc1ccc(C)c(Nc2nc(NCCO)nc3c2cnn3C)c1.Cc1ccc(Nc2nc(NCCO)nc3c2cnn3C(C)C)cc1.Cc1ccc(Nc2nc(NCCO)nc3c2ncn3-c2ccccc2)cc1.Cn1ncc2c(N3CCCCC3)nc(NCCO)nc21.Cn1ncc2c(Nc3ccc(F)cc3)nc(NCCO)nc21.

What is the InChIKey of 2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol?

The InChIKey is JWSBEEPBAPYTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O.C17H22N6O.C16H20N6O2.C16H20N6O.C14H15FN6O.C13H20N6O/c1-14-7-9-15(10-8-14)23-18-17-19(25-20(24-18)21-11-12-27)26(13-22-17)16-5-3-2-4-6-16;1-11(2)23-16-14(10-19-23)15(21-17(22-16)18-8-9-24)20-13-6-4-12(3)5-7-13;1-3-22-10-18-13-14(19-11-4-6-12(24-2)7-5-11)20-16(17-8-9-23)21-15(13)22;1-10-4-5-11(2)13(8-10)19-14-12-9-18-22(3)15(12)21-16(20-14)17-6-7-23;1-21-13-11(8-17-21)12(19-14(20-13)16-6-7-22)18-10-4-2-9(15)3-5-10;1-18-11-10(9-15-18)12(19-6-3-2-4-7-19)17-13(16-11)14-5-8-20/h2-10,13,27H,11-12H2,1H3,(H2,21,23,24,25);4-7,10-11,24H,8-9H2,1-3H3,(H2,18,20,21,22);4-7,10,23H,3,8-9H2,1-2H3,(H2,17,19,20,21);4-5,8-9,23H,6-7H2,1-3H3,(H2,17,19,20,21);2-5,8,22H,6-7H2,1H3,(H2,16,18,19,20);9,20H,2-8H2,1H3,(H,14,16,17).

What are the key properties of 2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol?

2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol has a molecular weight of 1906.23 g/mol, XLogP of 12.67, 33 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(2,5-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[9-ethyl-6-(4-methoxyanilino)purin-2-yl]amino]ethanol;2-[[4-(4-fluoroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[[6-(4-methylanilino)-9-phenylpurin-2-yl]amino]ethanol;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol;2-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol is sourced from PubChem (CID 159046394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).