N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

C117H113F3N24O9 — CID 161154311

About N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 161154311) has the molecular formula C117H113F3N24O9 and a molecular weight of 2056.34 g/mol. Its IUPAC name is N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 161154311
• Molecular Formula: C117H113F3N24O9
• Molecular Weight: 2056.34 g/mol
• Exact Mass: 2054.91
• IUPAC Name: N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: CCCCOc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NC5CCC5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc5ccccc45)c3n2)cc(OC)c1OC.Cc1ccc(OC2CCCCCC2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1.FC(F)(F)c1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1
• InChI: InChI=1S/C27H29N5O4.C25H27N5O.C25H22N4O3.C22H23N5O.C18H12F3N5/c1-34-22-14-20(15-23(35-2)25(22)36-3)30-27-28-16-18-10-11-32(26(18)31-27)21-9-4-6-17(12-21)13-24(33)29-19-7-5-8-19;1-18-11-12-21(31-20-8-4-2-3-5-9-20)16-22(18)28-25-27-17-19-13-15-30(24(19)29-25)23-10-6-7-14-26-23;1-30-21-13-18(14-22(31-2)23(21)32-3)27-25-26-15-17-11-12-29(24(17)28-25)20-10-6-8-16-7-4-5-9-19(16)20;1-3-4-13-28-18-9-8-16(2)19(14-18)25-22-24-15-17-10-12-27(21(17)26-22)20-7-5-6-11-23-20;19-18(20,21)13-5-1-2-6-14(13)24-17-23-11-12-8-10-26(16(12)25-17)15-7-3-4-9-22-15/h4,6,9-12,14-16,19H,5,7-8,13H2,1-3H3,(H,29,33)(H,28,30,31);6-7,10-17,20H,2-5,8-9H2,1H3,(H,27,28,29);4-15H,1-3H3,(H,26,27,28);5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26);1-11H,(H,23,24,25)
• InChIKey: UPCANWYUABTIPF-UHFFFAOYSA-N
• XLogP: 25.34
• TPSA: 355.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2056.34
LogP ≤ 5	25.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 161154311) is N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine is CCCCOc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NC5CCC5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc5ccccc45)c3n2)cc(OC)c1OC.Cc1ccc(OC2CCCCCC2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1.FC(F)(F)c1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.

What is the InChIKey of N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is UPCANWYUABTIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4.C25H27N5O.C25H22N4O3.C22H23N5O.C18H12F3N5/c1-34-22-14-20(15-23(35-2)25(22)36-3)30-27-28-16-18-10-11-32(26(18)31-27)21-9-4-6-17(12-21)13-24(33)29-19-7-5-8-19;1-18-11-12-21(31-20-8-4-2-3-5-9-20)16-22(18)28-25-27-17-19-13-15-30(24(19)29-25)23-10-6-7-14-26-23;1-30-21-13-18(14-22(31-2)23(21)32-3)27-25-26-15-17-11-12-29(24(17)28-25)20-10-6-8-16-7-4-5-9-19(16)20;1-3-4-13-28-18-9-8-16(2)19(14-18)25-22-24-15-17-10-12-27(21(17)26-22)20-7-5-6-11-23-20;19-18(20,21)13-5-1-2-6-14(13)24-17-23-11-12-8-10-26(16(12)25-17)15-7-3-4-9-22-15/h4,6,9-12,14-16,19H,5,7-8,13H2,1-3H3,(H,29,33)(H,28,30,31);6-7,10-17,20H,2-5,8-9H2,1H3,(H,27,28,29);4-15H,1-3H3,(H,26,27,28);5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26);1-11H,(H,23,24,25).

What are the key properties of N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?

N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 2056.34 g/mol, XLogP of 25.34, 30 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-butoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-cycloheptyloxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-naphthalen-1-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 161154311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).