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

C20H23FN6O — CID 167039705

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

N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]acetamide (PubChem CID 167039705) has the molecular formula C20H23FN6O and a molecular weight of 382.44 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]acetamide.

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]acetamide
• PubChem CID: 167039705
• Molecular Formula: C20H23FN6O
• Molecular Weight: 382.44 g/mol
• Exact Mass: 382.19
• IUPAC Name: N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]acetamide
• SMILES: CC(=O)NCCn1c(Cc2cc3c(cc2C)CCC3)nc2c(N)nc(F)nc21
• InChI: InChI=1S/C20H23FN6O/c1-11-8-13-4-3-5-14(13)9-15(11)10-16-24-17-18(22)25-20(21)26-19(17)27(16)7-6-23-12(2)28/h8-9H,3-7,10H2,1-2H3,(H,23,28)(H2,22,25,26)
• InChIKey: IYOQELPWSXQHOV-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 98.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.44
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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]acetamide?

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]acetamide (CID 167039705) is N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]acetamide.

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]acetamide?

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]acetamide is CC(=O)NCCn1c(Cc2cc3c(cc2C)CCC3)nc2c(N)nc(F)nc21.

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]acetamide?

The InChIKey is IYOQELPWSXQHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-11-8-13-4-3-5-14(13)9-15(11)10-16-24-17-18(22)25-20(21)26-19(17)27(16)7-6-23-12(2)28/h8-9H,3-7,10H2,1-2H3,(H,23,28)(H2,22,25,26).

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]acetamide?

N-[2-[6-amino-2-fluoro-8-[(6-methyl-2,3-dihydro-1H-inden-5-yl)methyl]purin-9-yl]ethyl]acetamide has a molecular weight of 382.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]acetamide is sourced from PubChem (CID 167039705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).