N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol

C108H106N24O14 — CID 157414792

About N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol

N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 157414792) has the molecular formula C108H106N24O14 and a molecular weight of 1964.19 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol
• PubChem CID: 157414792
• Molecular Formula: C108H106N24O14
• Molecular Weight: 1964.19 g/mol
• Exact Mass: 1962.83
• IUPAC Name: N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol
• SMILES: CCc1ccccc1Cn1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCCN)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4ccccc4CO)c3n2)cc(OC)c1OC.COc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1.c1ccc(-n2ccc3cnc(Nc4ccc5c(c4)OCO5)nc32)nc1
• InChI: InChI=1S/C26H30N6O4.C24H26N4O3.C22H22N4O4.C18H13N5O2.C18H15N5O/c1-34-21-14-19(15-22(35-2)24(21)36-3)30-26-29-16-18-8-11-32(25(18)31-26)20-7-4-6-17(12-20)13-23(33)28-10-5-9-27;1-5-16-8-6-7-9-18(16)15-28-11-10-17-14-25-24(27-23(17)28)26-19-12-20(29-2)22(31-4)21(13-19)30-3;1-28-18-10-16(11-19(29-2)20(18)30-3)24-22-23-12-14-8-9-26(21(14)25-22)17-7-5-4-6-15(17)13-27;1-2-7-19-16(3-1)23-8-6-12-10-20-18(22-17(12)23)21-13-4-5-14-15(9-13)25-11-24-14;1-24-15-6-4-5-14(11-15)21-18-20-12-13-8-10-23(17(13)22-18)16-7-2-3-9-19-16/h4,6-8,11-12,14-16H,5,9-10,13,27H2,1-3H3,(H,28,33)(H,29,30,31);6-14H,5,15H2,1-4H3,(H,25,26,27);4-12,27H,13H2,1-3H3,(H,23,24,25);1-10H,11H2,(H,20,21,22);2-12H,1H3,(H,20,21,22)
• InChIKey: BOSFJMSXCJZVJO-UHFFFAOYSA-N
• XLogP: 18.55
• TPSA: 425.59 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1964.19
LogP ≤ 5	18.55
H-Bond Donors ≤ 5	8
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-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol?

The IUPAC name of N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol (CID 157414792) is N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol.

What is the SMILES notation for N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol?

The canonical SMILES for N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol is CCc1ccccc1Cn1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCCN)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4ccccc4CO)c3n2)cc(OC)c1OC.COc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1.c1ccc(-n2ccc3cnc(Nc4ccc5c(c4)OCO5)nc32)nc1.

What is the InChIKey of N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol?

The InChIKey is BOSFJMSXCJZVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4.C24H26N4O3.C22H22N4O4.C18H13N5O2.C18H15N5O/c1-34-21-14-19(15-22(35-2)24(21)36-3)30-26-29-16-18-8-11-32(25(18)31-26)20-7-4-6-17(12-20)13-23(33)28-10-5-9-27;1-5-16-8-6-7-9-18(16)15-28-11-10-17-14-25-24(27-23(17)28)26-19-12-20(29-2)22(31-4)21(13-19)30-3;1-28-18-10-16(11-19(29-2)20(18)30-3)24-22-23-12-14-8-9-26(21(14)25-22)17-7-5-4-6-15(17)13-27;1-2-7-19-16(3-1)23-8-6-12-10-20-18(22-17(12)23)21-13-4-5-14-15(9-13)25-11-24-14;1-24-15-6-4-5-14(11-15)21-18-20-12-13-8-10-23(17(13)22-18)16-7-2-3-9-19-16/h4,6-8,11-12,14-16H,5,9-10,13,27H2,1-3H3,(H,28,33)(H,29,30,31);6-14H,5,15H2,1-4H3,(H,25,26,27);4-12,27H,13H2,1-3H3,(H,23,24,25);1-10H,11H2,(H,20,21,22);2-12H,1H3,(H,20,21,22).

What are the key properties of N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol?

N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 1964.19 g/mol, XLogP of 18.55, 33 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-ethylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 157414792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).