7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate

C108H98N24O10 — CID 159288089

About 7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate

7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate (PubChem CID 159288089) has the molecular formula C108H98N24O10 and a molecular weight of 1892.13 g/mol. Its IUPAC name is 7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate.

Molecular Properties

• Compound Name: 7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate
• PubChem CID: 159288089
• Molecular Formula: C108H98N24O10
• Molecular Weight: 1892.13 g/mol
• Exact Mass: 1890.79
• IUPAC Name: 7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate
• SMILES: C1=Cc2c(cccc2Nc2ncc3ccn(-c4ccccn4)c3n2)C1.CCc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1.COC(=O)CCC(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1ccc(C)c(Nc2ncc3ccn(Cc4cccnc4)c3n2)c1.c1ccc(-n2ccc3cnc(Nc4ccc5[nH]ccc5c4)nc32)nc1
• InChI: InChI=1S/C26H26N4O6.C23H24N4O3.C20H19N5O.C20H15N5.C19H14N6/c1-33-21-13-18(14-22(34-2)24(21)36-4)28-26-27-15-17-10-11-30(25(17)29-26)19-7-5-6-16(12-19)20(31)8-9-23(32)35-3;1-5-15-6-8-18(9-7-15)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;1-14-5-6-17(26-2)10-18(14)23-20-22-12-16-7-9-25(19(16)24-20)13-15-4-3-8-21-11-15;1-2-11-21-18(9-1)25-12-10-15-13-22-20(24-19(15)25)23-17-8-4-6-14-5-3-7-16(14)17;1-2-8-21-17(3-1)25-10-7-14-12-22-19(24-18(14)25)23-15-4-5-16-13(11-15)6-9-20-16/h5-7,10-15H,8-9H2,1-4H3,(H,27,28,29);6-14H,5H2,1-4H3,(H,24,25,26);3-12H,13H2,1-2H3,(H,22,23,24);1-4,6-13H,5H2,(H,22,23,24);1-12,20H,(H,22,23,24)
• InChIKey: KZTMKSKJVNKOEK-UHFFFAOYSA-N
• XLogP: 21.18
• TPSA: 376.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1892.13
LogP ≤ 5	21.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate?

The IUPAC name of 7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate (CID 159288089) is 7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate.

What is the SMILES notation for 7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate?

The canonical SMILES for 7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate is C1=Cc2c(cccc2Nc2ncc3ccn(-c4ccccn4)c3n2)C1.CCc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1.COC(=O)CCC(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1ccc(C)c(Nc2ncc3ccn(Cc4cccnc4)c3n2)c1.c1ccc(-n2ccc3cnc(Nc4ccc5[nH]ccc5c4)nc32)nc1.

What is the InChIKey of 7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate?

The InChIKey is KZTMKSKJVNKOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6.C23H24N4O3.C20H19N5O.C20H15N5.C19H14N6/c1-33-21-13-18(14-22(34-2)24(21)36-4)28-26-27-15-17-10-11-30(25(17)29-26)19-7-5-6-16(12-19)20(31)8-9-23(32)35-3;1-5-15-6-8-18(9-7-15)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;1-14-5-6-17(26-2)10-18(14)23-20-22-12-16-7-9-25(19(16)24-20)13-15-4-3-8-21-11-15;1-2-11-21-18(9-1)25-12-10-15-13-22-20(24-19(15)25)23-17-8-4-6-14-5-3-7-16(14)17;1-2-8-21-17(3-1)25-10-7-14-12-22-19(24-18(14)25)23-15-4-5-16-13(11-15)6-9-20-16/h5-7,10-15H,8-9H2,1-4H3,(H,27,28,29);6-14H,5H2,1-4H3,(H,24,25,26);3-12H,13H2,1-2H3,(H,22,23,24);1-4,6-13H,5H2,(H,22,23,24);1-12,20H,(H,22,23,24).

What are the key properties of 7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate?

7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate has a molecular weight of 1892.13 g/mol, XLogP of 21.18, 28 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-inden-4-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 4-oxo-4-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanoate is sourced from PubChem (CID 159288089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).