2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide

C16H21FN6O — CID 154788704

IUPAC2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide
SMILESCC(NC(=O)Cn1cnc2c(N)nc(F)nc21)C1CC2CCC1C2
InChIInChI=1S/C16H21FN6O/c1-8(11-5-9-2-3-10(11)4-9)20-12(24)6-23-7-19-13-14(18)21-16(17)22-15(13)23/h7-11H,2-6H2,1H3,(H,20,24)(H2,18,21,22)
InChIKeyPXPXYTOPBQQCHP-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.49
Rot. Bonds4

About 2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide

2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide (PubChem CID 154788704) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide
PubChem CID154788704
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide
SMILESCC(NC(=O)Cn1cnc2c(N)nc(F)nc21)C1CC2CCC1C2
InChIInChI=1S/C16H21FN6O/c1-8(11-5-9-2-3-10(11)4-9)20-12(24)6-23-7-19-13-14(18)21-16(17)22-15(13)23/h7-11H,2-6H2,1H3,(H,20,24)(H2,18,21,22)
InChIKeyPXPXYTOPBQQCHP-UHFFFAOYSA-N
XLogP1.49
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide?
The IUPAC name of 2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide (CID 154788704) is 2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide.
What is the SMILES notation for 2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide?
The canonical SMILES for 2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide is CC(NC(=O)Cn1cnc2c(N)nc(F)nc21)C1CC2CCC1C2.
What is the InChIKey of 2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide?
The InChIKey is PXPXYTOPBQQCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-8(11-5-9-2-3-10(11)4-9)20-12(24)6-23-7-19-13-14(18)21-16(17)22-15(13)23/h7-11H,2-6H2,1H3,(H,20,24)(H2,18,21,22).
What are the key properties of 2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide?
2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide has a molecular weight of 332.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-fluoropurin-9-yl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide is sourced from PubChem (CID 154788704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).