7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C113H110F3N21O19S2 — CID 158389256

About 7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 158389256) has the molecular formula C113H110F3N21O19S2 and a molecular weight of 2187.38 g/mol. Its IUPAC name is 7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 158389256
• Molecular Formula: C113H110F3N21O19S2
• Molecular Weight: 2187.38 g/mol
• Exact Mass: 2185.77
• IUPAC Name: 7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: CCS(=O)(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)ccc3C)nc21.CNS(=O)(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)ccc4C)nc32)c1.COC(=O)CCc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COC(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1cc(Nc2ncc3ccn(-c4ccc(C(F)(F)F)cc4)c3n2)cc(OC)c1OC
• InChI: InChI=1S/C25H26N4O5.C23H22N4O5.C22H19F3N4O3.C22H22N4O3S.C21H21N5O3S/c1-31-20-13-18(14-21(32-2)23(20)34-4)27-25-26-15-17-10-11-29(24(17)28-25)19-7-5-6-16(12-19)8-9-22(30)33-3;1-29-18-11-16(12-19(30-2)20(18)31-3)25-23-24-13-15-8-9-27(21(15)26-23)17-7-5-6-14(10-17)22(28)32-4;1-30-17-10-15(11-18(31-2)19(17)32-3)27-21-26-12-13-8-9-29(20(13)28-21)16-6-4-14(5-7-16)22(23,24)25;1-4-30(27,28)20-8-6-5-7-19(20)26-12-11-16-14-23-22(25-21(16)26)24-18-13-17(29-3)10-9-15(18)2;1-14-7-8-17(29-3)12-19(14)24-21-23-13-15-9-10-26(20(15)25-21)16-5-4-6-18(11-16)30(27,28)22-2/h5-7,10-15H,8-9H2,1-4H3,(H,26,27,28);5-13H,1-4H3,(H,24,25,26);4-12H,1-3H3,(H,26,27,28);5-14H,4H2,1-3H3,(H,23,24,25);4-13,22H,1-3H3,(H,23,24,25)
• InChIKey: GWTAMJWXGVSSEE-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 448.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 34
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2187.38
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of 7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 158389256) is 7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is CCS(=O)(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)ccc3C)nc21.CNS(=O)(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)ccc4C)nc32)c1.COC(=O)CCc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COC(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1cc(Nc2ncc3ccn(-c4ccc(C(F)(F)F)cc4)c3n2)cc(OC)c1OC.

What is the InChIKey of 7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is GWTAMJWXGVSSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5.C23H22N4O5.C22H19F3N4O3.C22H22N4O3S.C21H21N5O3S/c1-31-20-13-18(14-21(32-2)23(20)34-4)27-25-26-15-17-10-11-29(24(17)28-25)19-7-5-6-16(12-19)8-9-22(30)33-3;1-29-18-11-16(12-19(30-2)20(18)31-3)25-23-24-13-15-8-9-27(21(15)26-23)17-7-5-6-14(10-17)22(28)32-4;1-30-17-10-15(11-18(31-2)19(17)32-3)27-21-26-12-13-8-9-29(20(13)28-21)16-6-4-14(5-7-16)22(23,24)25;1-4-30(27,28)20-8-6-5-7-19(20)26-12-11-16-14-23-22(25-21(16)26)24-18-13-17(29-3)10-9-15(18)2;1-14-7-8-17(29-3)12-19(14)24-21-23-13-15-9-10-26(20(15)25-21)16-5-4-6-18(11-16)30(27,28)22-2/h5-7,10-15H,8-9H2,1-4H3,(H,26,27,28);5-13H,1-4H3,(H,24,25,26);4-12H,1-3H3,(H,26,27,28);5-14H,4H2,1-3H3,(H,23,24,25);4-13,22H,1-3H3,(H,23,24,25).

What are the key properties of 7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 2187.38 g/mol, XLogP of 21.14, 34 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-ethylsulfonylphenyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide;methyl 3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate;methyl 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanoate;7-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 158389256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).