N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C121H122N28O11 — CID 159660181

About N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 159660181) has the molecular formula C121H122N28O11 and a molecular weight of 2144.49 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 159660181
• Molecular Formula: C121H122N28O11
• Molecular Weight: 2144.49 g/mol
• Exact Mass: 2142.98
• IUPAC Name: N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NC5CCCC5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4ccccc4C(=O)N(CCO)CCO)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(CCc4ccncc4)c3n2)c1.Cc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1Nc1ncc2ccn(-c3ccccn3)c2n1.Cc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1C
• InChI: InChI=1S/C28H26N8.C27H29N5O4.C26H29N5O6.C21H21N5O.C19H17N5/c1-16-9-10-22(36-19(4)25-17(2)33-34-18(3)26(25)20(36)5)14-23(16)31-28-30-15-21-11-13-35(27(21)32-28)24-8-6-7-12-29-24;1-34-22-14-20(15-23(35-2)24(22)36-3)30-27-28-16-18-11-12-32(25(18)31-27)21-10-6-7-17(13-21)26(33)29-19-8-4-5-9-19;1-35-21-14-18(15-22(36-2)23(21)37-3)28-26-27-16-17-8-9-31(24(17)29-26)20-7-5-4-6-19(20)25(34)30(10-12-32)11-13-33;1-15-3-4-18(27-2)13-19(15)24-21-23-14-17-8-12-26(20(17)25-21)11-7-16-5-9-22-10-6-16;1-13-6-5-7-16(14(13)2)22-19-21-12-15-9-11-24(18(15)23-19)17-8-3-4-10-20-17/h6-15H,1-5H3,(H,30,31,32);6-7,10-16,19H,4-5,8-9H2,1-3H3,(H,29,33)(H,28,30,31);4-9,14-16,32-33H,10-13H2,1-3H3,(H,27,28,29);3-6,8-10,12-14H,7,11H2,1-2H3,(H,23,24,25);3-12H,1-2H3,(H,21,22,23)
• InChIKey: MSRUZWVEMGTCEY-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 437.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2144.49
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 159660181) is N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NC5CCCC5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4ccccc4C(=O)N(CCO)CCO)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(CCc4ccncc4)c3n2)c1.Cc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1Nc1ncc2ccn(-c3ccccn3)c2n1.Cc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1C.

What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is MSRUZWVEMGTCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8.C27H29N5O4.C26H29N5O6.C21H21N5O.C19H17N5/c1-16-9-10-22(36-19(4)25-17(2)33-34-18(3)26(25)20(36)5)14-23(16)31-28-30-15-21-11-13-35(27(21)32-28)24-8-6-7-12-29-24;1-34-22-14-20(15-23(35-2)24(22)36-3)30-27-28-16-18-11-12-32(25(18)31-27)21-10-6-7-17(13-21)26(33)29-19-8-4-5-9-19;1-35-21-14-18(15-22(36-2)23(21)37-3)28-26-27-16-17-8-9-31(24(17)29-26)20-7-5-4-6-19(20)25(34)30(10-12-32)11-13-33;1-15-3-4-18(27-2)13-19(15)24-21-23-14-17-8-12-26(20(17)25-21)11-7-16-5-9-22-10-6-16;1-13-6-5-7-16(14(13)2)22-19-21-12-15-9-11-24(18(15)23-19)17-8-3-4-10-20-17/h6-15H,1-5H3,(H,30,31,32);6-7,10-16,19H,4-5,8-9H2,1-3H3,(H,29,33)(H,28,30,31);4-9,14-16,32-33H,10-13H2,1-3H3,(H,27,28,29);3-6,8-10,12-14H,7,11H2,1-2H3,(H,23,24,25);3-12H,1-2H3,(H,21,22,23).

What are the key properties of N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?

N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 2144.49 g/mol, XLogP of 21.62, 32 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(2-hydroxyethyl)-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-cyclopentyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2,3-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(2-pyridin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 159660181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).