N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C117H123ClN26O19 — CID 159885016

About N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 159885016) has the molecular formula C117H123ClN26O19 and a molecular weight of 2232.89 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 159885016
• Molecular Formula: C117H123ClN26O19
• Molecular Weight: 2232.89 g/mol
• Exact Mass: 2230.91
• IUPAC Name: N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCNC(C)=O)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCC(C)C)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4ccnc(Cl)n4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(CCc4cccnc4)c3n2)cc(OC)c1OC.COc1cccc(Cn2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1
• InChI: InChI=1S/C27H31N5O4.C26H28N6O5.C23H24N4O4.C22H23N5O3.C19H17ClN6O3/c1-17(2)15-28-24(33)12-18-7-6-8-21(11-18)32-10-9-19-16-29-27(31-26(19)32)30-20-13-22(34-3)25(36-5)23(14-20)35-4;1-16(33)27-9-10-28-25(34)17-6-5-7-20(12-17)32-11-8-18-15-29-26(31-24(18)32)30-19-13-21(35-2)23(37-4)22(14-19)36-3;1-28-18-7-5-6-15(10-18)14-27-9-8-16-13-24-23(26-22(16)27)25-17-11-19(29-2)21(31-4)20(12-17)30-3;1-28-18-11-17(12-19(29-2)20(18)30-3)25-22-24-14-16-7-10-27(21(16)26-22)9-6-15-5-4-8-23-13-15;1-27-13-8-12(9-14(28-2)16(13)29-3)23-19-22-10-11-5-7-26(17(11)25-19)15-4-6-21-18(20)24-15/h6-11,13-14,16-17H,12,15H2,1-5H3,(H,28,33)(H,29,30,31);5-8,11-15H,9-10H2,1-4H3,(H,27,33)(H,28,34)(H,29,30,31);5-13H,14H2,1-4H3,(H,24,25,26);4-5,7-8,10-14H,6,9H2,1-3H3,(H,24,25,26);4-10H,1-3H3,(H,22,23,25)
• InChIKey: NUAFJCOWWKYZDQ-UHFFFAOYSA-N
• XLogP: 19.29
• TPSA: 487.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 42
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2232.89
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

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)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 159885016) is N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCNC(C)=O)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCC(C)C)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4ccnc(Cl)n4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(CCc4cccnc4)c3n2)cc(OC)c1OC.COc1cccc(Cn2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.

What is the InChIKey of N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is NUAFJCOWWKYZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4.C26H28N6O5.C23H24N4O4.C22H23N5O3.C19H17ClN6O3/c1-17(2)15-28-24(33)12-18-7-6-8-21(11-18)32-10-9-19-16-29-27(31-26(19)32)30-20-13-22(34-3)25(36-5)23(14-20)35-4;1-16(33)27-9-10-28-25(34)17-6-5-7-20(12-17)32-11-8-18-15-29-26(31-24(18)32)30-19-13-21(35-2)23(37-4)22(14-19)36-3;1-28-18-7-5-6-15(10-18)14-27-9-8-16-13-24-23(26-22(16)27)25-17-11-19(29-2)21(31-4)20(12-17)30-3;1-28-18-11-17(12-19(29-2)20(18)30-3)25-22-24-14-16-7-10-27(21(16)26-22)9-6-15-5-4-8-23-13-15;1-27-13-8-12(9-14(28-2)16(13)29-3)23-19-22-10-11-5-7-26(17(11)25-19)15-4-6-21-18(20)24-15/h6-11,13-14,16-17H,12,15H2,1-5H3,(H,28,33)(H,29,30,31);5-8,11-15H,9-10H2,1-4H3,(H,27,33)(H,28,34)(H,29,30,31);5-13H,14H2,1-4H3,(H,24,25,26);4-5,7-8,10-14H,6,9H2,1-3H3,(H,24,25,26);4-10H,1-3H3,(H,22,23,25).

What are the key properties of N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 2232.89 g/mol, XLogP of 19.29, 42 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-(2-chloropyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[(3-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(2-pyridin-3-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 159885016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).