N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

C112H115N27O13 — CID 162253106

About N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 162253106) has the molecular formula C112H115N27O13 and a molecular weight of 2047.33 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 162253106
• Molecular Formula: C112H115N27O13
• Molecular Weight: 2047.33 g/mol
• Exact Mass: 2045.92
• IUPAC Name: N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: CC(C)c1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.COc1cc(CNc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCNC(C)=O)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCCCN)c4)c3n2)cc(OC)c1OC.Oc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
• InChI: InChI=1S/C27H30N6O5.C27H32N6O4.C21H21N5O3.C20H19N5.C17H13N5O/c1-17(34)28-9-10-29-24(35)13-18-6-5-7-21(12-18)33-11-8-19-16-30-27(32-26(19)33)31-20-14-22(36-2)25(38-4)23(15-20)37-3;1-35-22-15-20(16-23(36-2)25(22)37-3)31-27-30-17-19-10-13-33(26(19)32-27)21-7-4-6-18(14-21)8-9-24(34)29-12-5-11-28;1-27-16-10-14(11-17(28-2)19(16)29-3)12-23-21-24-13-15-7-9-26(20(15)25-21)18-6-4-5-8-22-18;1-14(2)16-7-3-4-8-17(16)23-20-22-13-15-10-12-25(19(15)24-20)18-9-5-6-11-21-18;23-14-5-3-4-13(10-14)20-17-19-11-12-7-9-22(16(12)21-17)15-6-1-2-8-18-15/h5-8,11-12,14-16H,9-10,13H2,1-4H3,(H,28,34)(H,29,35)(H,30,31,32);4,6-7,10,13-17H,5,8-9,11-12,28H2,1-3H3,(H,29,34)(H,30,31,32);4-11,13H,12H2,1-3H3,(H,23,24,25);3-14H,1-2H3,(H,22,23,24);1-11,23H,(H,19,20,21)
• InChIKey: ZYFZRXYWSNKYGF-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 468.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 37
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2047.33
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 162253106) is N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is CC(C)c1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.COc1cc(CNc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCNC(C)=O)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCCCN)c4)c3n2)cc(OC)c1OC.Oc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1.

What is the InChIKey of N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is ZYFZRXYWSNKYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O5.C27H32N6O4.C21H21N5O3.C20H19N5.C17H13N5O/c1-17(34)28-9-10-29-24(35)13-18-6-5-7-21(12-18)33-11-8-19-16-30-27(32-26(19)33)31-20-14-22(36-2)25(38-4)23(15-20)37-3;1-35-22-15-20(16-23(36-2)25(22)37-3)31-27-30-17-19-10-13-33(26(19)32-27)21-7-4-6-18(14-21)8-9-24(34)29-12-5-11-28;1-27-16-10-14(11-17(28-2)19(16)29-3)12-23-21-24-13-15-7-9-26(20(15)25-21)18-6-4-5-8-22-18;1-14(2)16-7-3-4-8-17(16)23-20-22-13-15-10-12-25(19(15)24-20)18-9-5-6-11-21-18;23-14-5-3-4-13(10-14)20-17-19-11-12-7-9-22(16(12)21-17)15-6-1-2-8-18-15/h5-8,11-12,14-16H,9-10,13H2,1-4H3,(H,28,34)(H,29,35)(H,30,31,32);4,6-7,10,13-17H,5,8-9,11-12,28H2,1-3H3,(H,29,34)(H,30,31,32);4-11,13H,12H2,1-3H3,(H,23,24,25);3-14H,1-2H3,(H,22,23,24);1-11,23H,(H,19,20,21).

What are the key properties of N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?

N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 2047.33 g/mol, XLogP of 17.97, 37 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidoethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(3-aminopropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-(2-propan-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenol;7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 162253106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).