1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one

C10H9N5O — CID 166485173

IUPAC1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one
SMILESCC(=O)Cc1cnc2c3[nH]cnc3ncn12
InChIInChI=1S/C10H9N5O/c1-6(16)2-7-3-11-10-8-9(13-4-12-8)14-5-15(7)10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyRUBJCGKUJWLOLQ-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.74
Rot. Bonds2

About 1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one

1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one (PubChem CID 166485173) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one.

Molecular Properties

Compound Name1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one
PubChem CID166485173
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one
SMILESCC(=O)Cc1cnc2c3[nH]cnc3ncn12
InChIInChI=1S/C10H9N5O/c1-6(16)2-7-3-11-10-8-9(13-4-12-8)14-5-15(7)10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyRUBJCGKUJWLOLQ-UHFFFAOYSA-N
XLogP0.74
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one?
The IUPAC name of 1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one (CID 166485173) is 1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one.
What is the SMILES notation for 1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one?
The canonical SMILES for 1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one is CC(=O)Cc1cnc2c3[nH]cnc3ncn12.
What is the InChIKey of 1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one?
The InChIKey is RUBJCGKUJWLOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-6(16)2-7-3-11-10-8-9(13-4-12-8)14-5-15(7)10/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one?
1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one has a molecular weight of 215.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one is sourced from PubChem (CID 166485173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).