N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one

C₆₇H₉₈FN₃₅O₈S₄ — CID 159739535

About N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one

N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one (PubChem CID 159739535) has the molecular formula C₆₇H₉₈FN₃₅O₈S₄ and a molecular weight of 1669.02 g/mol. Its IUPAC name is N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one.

Molecular Properties

• Compound Name: N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one
• PubChem CID: 159739535
• Molecular Formula: C₆₇H₉₈FN₃₅O₈S₄
• Molecular Weight: 1669.02 g/mol
• Exact Mass: 1667.72
• IUPAC Name: N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one
• SMILES: CC(C)n1cc(F)c2c(N(C)NS(C)(=O)=O)nc(N)nc21.CC(C)n1ccc2c(N(C)NS(C)(=O)=O)nc(N)nc21.CC(C)n1ccc2c(NNS(C)(=O)=O)nc(N)nc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2cnc(N)nc21.CCOc1ncnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C
• InChI: InChI=1S/C11H17FN6O2S.C11H18N6O2S.C10H16N6O2S.C10H14N4O.C9H12N4S.C8H11N5.C8H10N4O/c1-6(2)18-5-7(12)8-9(14-11(13)15-10(8)18)17(3)16-21(4,19)20;1-7(2)17-6-5-8-9(13-11(12)14-10(8)17)16(3)15-20(4,18)19;1-6(2)16-5-4-7-8(14-15-19(3,17)18)12-10(11)13-9(7)16;1-4-15-10-8-9(11-5-12-10)14(6-13-8)7(2)3;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-5(2)13-4-11-6-3-10-8(9)12-7(6)13;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13/h5-6,16H,1-4H3,(H2,13,14,15);5-7,15H,1-4H3,(H2,12,13,14);4-6,15H,1-3H3,(H3,11,12,13,14);5-7H,4H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3,(H2,9,10,12);3-5H,1-2H3,(H,9,10,13)
• InChIKey: NCGRJNCSCMRTBI-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 556.83 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 19
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1669.02
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one?

The IUPAC name of N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one (CID 159739535) is N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one.

What is the SMILES notation for N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one?

The canonical SMILES for N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one is CC(C)n1cc(F)c2c(N(C)NS(C)(=O)=O)nc(N)nc21.CC(C)n1ccc2c(N(C)NS(C)(=O)=O)nc(N)nc21.CC(C)n1ccc2c(NNS(C)(=O)=O)nc(N)nc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2cnc(N)nc21.CCOc1ncnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C.

What is the InChIKey of N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one?

The InChIKey is NCGRJNCSCMRTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN6O2S.C11H18N6O2S.C10H16N6O2S.C10H14N4O.C9H12N4S.C8H11N5.C8H10N4O/c1-6(2)18-5-7(12)8-9(14-11(13)15-10(8)18)17(3)16-21(4,19)20;1-7(2)17-6-5-8-9(13-11(12)14-10(8)17)16(3)15-20(4,18)19;1-6(2)16-5-4-7-8(14-15-19(3,17)18)12-10(11)13-9(7)16;1-4-15-10-8-9(11-5-12-10)14(6-13-8)7(2)3;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-5(2)13-4-11-6-3-10-8(9)12-7(6)13;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13/h5-6,16H,1-4H3,(H2,13,14,15);5-7,15H,1-4H3,(H2,12,13,14);4-6,15H,1-3H3,(H3,11,12,13,14);5-7H,4H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3,(H2,9,10,12);3-5H,1-2H3,(H,9,10,13).

What are the key properties of N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one?

N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one has a molecular weight of 1669.02 g/mol, XLogP of 7.22, 19 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one is sourced from PubChem (CID 159739535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159739535 — identifiers, structure, computed properties (public domain)

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