8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one

C16H19N5O — CID 91382346

IUPAC8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one
SMILESCCC1CN2C(=O)N(C)C3=NC(c4ccccc4)NC3=C2N1
InChIInChI=1S/C16H19N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,13,17-18H,3,9H2,1-2H3
InChIKeyQVGOLZCUXPDYNL-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.61
Rot. Bonds2

About 8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one

8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one (PubChem CID 91382346) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one
PubChem CID91382346
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one
SMILESCCC1CN2C(=O)N(C)C3=NC(c4ccccc4)NC3=C2N1
InChIInChI=1S/C16H19N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,13,17-18H,3,9H2,1-2H3
InChIKeyQVGOLZCUXPDYNL-UHFFFAOYSA-N
XLogP1.61
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one?
The IUPAC name of 8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one (CID 91382346) is 8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for 8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for 8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one is CCC1CN2C(=O)N(C)C3=NC(c4ccccc4)NC3=C2N1.
What is the InChIKey of 8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one?
The InChIKey is QVGOLZCUXPDYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,13,17-18H,3,9H2,1-2H3.
What are the key properties of 8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one?
8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one has a molecular weight of 297.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one is sourced from PubChem (CID 91382346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).