N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid

C114H119N27O21 — CID 157471481

About N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid

N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid (PubChem CID 157471481) has the molecular formula C114H119N27O21 and a molecular weight of 2203.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid
• PubChem CID: 157471481
• Molecular Formula: C114H119N27O21
• Molecular Weight: 2203.37 g/mol
• Exact Mass: 2201.91
• IUPAC Name: N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid
• SMILES: COc1cc(Nc2ncc3c(n2)N(c2cccc(CCC(=O)O)n2)CC3)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCN)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCN)n4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)O)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc(OC)c1OC
• InChI: InChI=1S/C24H26N6O4.C24H24N4O5.C23H25N7O4.C23H25N5O5.C20H19N5O3/c1-32-19-12-17(13-20(33-2)21(19)34-3)28-24-27-14-16-7-10-30(22(16)29-24)18-6-4-5-15(11-18)23(31)26-9-8-25;1-31-19-12-17(13-20(32-2)22(19)33-3)26-24-25-14-16-9-10-28(23(16)27-24)18-6-4-5-15(11-18)7-8-21(29)30;1-32-17-11-15(12-18(33-2)20(17)34-3)27-23-26-13-14-7-10-30(21(14)29-23)19-6-4-5-16(28-19)22(31)25-9-8-24;1-31-17-11-16(12-18(32-2)21(17)33-3)26-23-24-13-14-9-10-28(22(14)27-23)19-6-4-5-15(25-19)7-8-20(29)30;1-26-16-9-14(10-17(27-2)18(16)28-3)23-20-22-11-13-6-8-25(19(13)24-20)15-5-4-7-21-12-15/h4-7,10-14H,8-9,25H2,1-3H3,(H,26,31)(H,27,28,29);4-6,9-14H,7-8H2,1-3H3,(H,29,30)(H,25,26,27);4-7,10-13H,8-9,24H2,1-3H3,(H,25,31)(H,26,27,29);4-6,11-13H,7-10H2,1-3H3,(H,29,30)(H,24,26,27);4-12H,1-3H3,(H,22,23,24)
• InChIKey: BVBYWEQAGZYIHA-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 573.97 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 44
• Rotatable Bonds: 42
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2203.37
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid?

The IUPAC name of N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid (CID 157471481) is N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid.

What is the SMILES notation for N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid?

The canonical SMILES for N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid is COc1cc(Nc2ncc3c(n2)N(c2cccc(CCC(=O)O)n2)CC3)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCN)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCN)n4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)O)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc(OC)c1OC.

What is the InChIKey of N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid?

The InChIKey is BVBYWEQAGZYIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4.C24H24N4O5.C23H25N7O4.C23H25N5O5.C20H19N5O3/c1-32-19-12-17(13-20(33-2)21(19)34-3)28-24-27-14-16-7-10-30(22(16)29-24)18-6-4-5-15(11-18)23(31)26-9-8-25;1-31-19-12-17(13-20(32-2)22(19)33-3)26-24-25-14-16-9-10-28(23(16)27-24)18-6-4-5-15(11-18)7-8-21(29)30;1-32-17-11-15(12-18(33-2)20(17)34-3)27-23-26-13-14-7-10-30(21(14)29-23)19-6-4-5-16(28-19)22(31)25-9-8-24;1-31-17-11-16(12-18(32-2)21(17)33-3)26-23-24-13-14-9-10-28(22(14)27-23)19-6-4-5-15(25-19)7-8-20(29)30;1-26-16-9-14(10-17(27-2)18(16)28-3)23-20-22-11-13-6-8-25(19(13)24-20)15-5-4-7-21-12-15/h4-7,10-14H,8-9,25H2,1-3H3,(H,26,31)(H,27,28,29);4-6,9-14H,7-8H2,1-3H3,(H,29,30)(H,25,26,27);4-7,10-13H,8-9,24H2,1-3H3,(H,25,31)(H,26,27,29);4-6,11-13H,7-10H2,1-3H3,(H,29,30)(H,24,26,27);4-12H,1-3H3,(H,22,23,24).

What are the key properties of N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid?

N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid has a molecular weight of 2203.37 g/mol, XLogP of 16.30, 42 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-aminoethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[6-[2-(3,4,5-trimethoxyanilino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propanoic acid;3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoic acid is sourced from PubChem (CID 157471481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).