N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide

C21H25FN6O2S — CID 167039697

About N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide

N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide (PubChem CID 167039697) has the molecular formula C21H25FN6O2S and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide
• PubChem CID: 167039697
• Molecular Formula: C21H25FN6O2S
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.17
• IUPAC Name: N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide
• SMILES: Cc1cc2c(cc1Cc1nc3c(N)nc(F)nc3n1CCNS(=O)(=O)C1CC1)CCC2
• InChI: InChI=1S/C21H25FN6O2S/c1-12-9-13-3-2-4-14(13)10-15(12)11-17-25-18-19(23)26-21(22)27-20(18)28(17)8-7-24-31(29,30)16-5-6-16/h9-10,16,24H,2-8,11H2,1H3,(H2,23,26,27)
• InChIKey: FPRGMSJNQFWLQC-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 115.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide?

The IUPAC name of N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide (CID 167039697) is N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide?

The canonical SMILES for N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide is Cc1cc2c(cc1Cc1nc3c(N)nc(F)nc3n1CCNS(=O)(=O)C1CC1)CCC2.

What is the InChIKey of N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide?

The InChIKey is FPRGMSJNQFWLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2S/c1-12-9-13-3-2-4-14(13)10-15(12)11-17-25-18-19(23)26-21(22)27-20(18)28(17)8-7-24-31(29,30)16-5-6-16/h9-10,16,24H,2-8,11H2,1H3,(H2,23,26,27).

What are the key properties of N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide?

N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 444.54 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 167039697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).