N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C89H88N18O10S — CID 161329845

About N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 161329845) has the molecular formula C89H88N18O10S and a molecular weight of 1601.87 g/mol. Its IUPAC name is N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 161329845
• Molecular Formula: C89H88N18O10S
• Molecular Weight: 1601.87 g/mol
• Exact Mass: 1600.67
• IUPAC Name: N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: C=Cc1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCCO)c4)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(-c4cccs4)c3n2)c1.Cc1ccc(OCC2CC2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1
• InChI: InChI=1S/C26H29N5O5.C23H22N4O3.C22H21N5O.C18H16N4OS/c1-34-21-14-19(15-22(35-2)24(21)36-3)29-26-28-16-18-8-10-31(25(18)30-26)20-7-4-6-17(12-20)13-23(33)27-9-5-11-32;1-5-15-8-6-7-9-18(15)27-11-10-16-14-24-23(26-22(16)27)25-17-12-19(28-2)21(30-4)20(13-17)29-3;1-15-5-8-18(28-14-16-6-7-16)12-19(15)25-22-24-13-17-9-11-27(21(17)26-22)20-4-2-3-10-23-20;1-12-5-6-14(23-2)10-15(12)20-18-19-11-13-7-8-22(17(13)21-18)16-4-3-9-24-16/h4,6-8,10,12,14-16,32H,5,9,11,13H2,1-3H3,(H,27,33)(H,28,29,30);5-14H,1H2,2-4H3,(H,24,25,26);2-5,8-13,16H,6-7,14H2,1H3,(H,24,25,26);3-11H,1-2H3,(H,19,20,21)
• InChIKey: VLGRTKZPDFQSSG-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 307.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1601.87
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 161329845) is N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is C=Cc1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCCO)c4)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(-c4cccs4)c3n2)c1.Cc1ccc(OCC2CC2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1.

What is the InChIKey of N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is VLGRTKZPDFQSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5.C23H22N4O3.C22H21N5O.C18H16N4OS/c1-34-21-14-19(15-22(35-2)24(21)36-3)29-26-28-16-18-8-10-31(25(18)30-26)20-7-4-6-17(12-20)13-23(33)27-9-5-11-32;1-5-15-8-6-7-9-18(15)27-11-10-16-14-24-23(26-22(16)27)25-17-12-19(28-2)21(30-4)20(13-17)29-3;1-15-5-8-18(28-14-16-6-7-16)12-19(15)25-22-24-13-17-9-11-27(21(17)26-22)20-4-2-3-10-23-20;1-12-5-6-14(23-2)10-15(12)20-18-19-11-13-7-8-22(17(13)21-18)16-4-3-9-24-16/h4,6-8,10,12,14-16,32H,5,9,11,13H2,1-3H3,(H,27,33)(H,28,29,30);5-14H,1H2,2-4H3,(H,24,25,26);2-5,8-13,16H,6-7,14H2,1H3,(H,24,25,26);3-11H,1-2H3,(H,19,20,21).

What are the key properties of N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?

N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 1601.87 g/mol, XLogP of 17.26, 28 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 161329845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).