4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

C116H116ClN29O8S6 — CID 159119229

About 4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde (PubChem CID 159119229) has the molecular formula C116H116ClN29O8S6 and a molecular weight of 2272.25 g/mol. Its IUPAC name is 4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde.

Molecular Properties

• Compound Name: 4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
• PubChem CID: 159119229
• Molecular Formula: C116H116ClN29O8S6
• Molecular Weight: 2272.25 g/mol
• Exact Mass: 2269.76
• IUPAC Name: 4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
• SMILES: CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC(C)C)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC3CCCCC3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCCOc3ccccc3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccc(C)o3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccccc3)c2c1C=O
• InChI: InChI=1S/C22H21N5O2S.C21H25N5OS.C21H19N5OS.C20H19N5O2S.C18H21N5OS.C14H11ClN4OS/c1-2-18-17(14-28)19-20(24-11-12-29-15-7-4-3-5-8-15)26-22(27-21(19)25-18)30-16-9-6-10-23-13-16;2*1-2-17-16(13-27)18-19(23-11-14-7-4-3-5-8-14)25-21(26-20(18)24-17)28-15-9-6-10-22-12-15;1-3-16-15(11-26)17-18(22-9-13-7-6-12(2)27-13)24-20(25-19(17)23-16)28-14-5-4-8-21-10-14;1-4-14-13(10-24)15-16(20-8-11(2)3)22-18(23-17(15)21-14)25-12-6-5-7-19-9-12;1-2-10-9(7-20)11-12(15)18-14(19-13(11)17-10)21-8-4-3-5-16-6-8/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26,27);6,9-10,12-14H,2-5,7-8,11H2,1H3,(H2,23,24,25,26);3-10,12-13H,2,11H2,1H3,(H2,23,24,25,26);4-8,10-11H,3,9H2,1-2H3,(H2,22,23,24,25);5-7,9-11H,4,8H2,1-3H3,(H2,20,21,22,23);3-7H,2H2,1H3,(H,17,18,19)
• InChIKey: KFLZQNLFJBQLIW-UHFFFAOYSA-N
• XLogP: 25.60
• TPSA: 511.70 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 41
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2272.25
LogP ≤ 5	25.60
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?

The IUPAC name of 4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde (CID 159119229) is 4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde.

What is the SMILES notation for 4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?

The canonical SMILES for 4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde is CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC(C)C)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC3CCCCC3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCCOc3ccccc3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccc(C)o3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccccc3)c2c1C=O.

What is the InChIKey of 4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?

The InChIKey is KFLZQNLFJBQLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S.C21H25N5OS.C21H19N5OS.C20H19N5O2S.C18H21N5OS.C14H11ClN4OS/c1-2-18-17(14-28)19-20(24-11-12-29-15-7-4-3-5-8-15)26-22(27-21(19)25-18)30-16-9-6-10-23-13-16;2*1-2-17-16(13-27)18-19(23-11-14-7-4-3-5-8-14)25-21(26-20(18)24-17)28-15-9-6-10-22-12-15;1-3-16-15(11-26)17-18(22-9-13-7-6-12(2)27-13)24-20(25-19(17)23-16)28-14-5-4-8-21-10-14;1-4-14-13(10-24)15-16(20-8-11(2)3)22-18(23-17(15)21-14)25-12-6-5-7-19-9-12;1-2-10-9(7-20)11-12(15)18-14(19-13(11)17-10)21-8-4-3-5-16-6-8/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26,27);6,9-10,12-14H,2-5,7-8,11H2,1H3,(H2,23,24,25,26);3-10,12-13H,2,11H2,1H3,(H2,23,24,25,26);4-8,10-11H,3,9H2,1-2H3,(H2,22,23,24,25);5-7,9-11H,4,8H2,1-3H3,(H2,20,21,22,23);3-7H,2H2,1H3,(H,17,18,19).

What are the key properties of 4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?

4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde has a molecular weight of 2272.25 g/mol, XLogP of 25.60, 41 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 159119229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).