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

C16H17N5O — CID 135921139

IUPAC8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCCC1Cn2c(c3nc(-c4ccccc4)nc-3n(C)c2=O)N1
InChIInChI=1S/C16H17N5O/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/h4-8,11,17H,3,9H2,1-2H3
InChIKeyXNWDEMWJNJVCBD-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.95
Rot. Bonds2

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

8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (PubChem CID 135921139) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
PubChem CID135921139
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCCC1Cn2c(c3nc(-c4ccccc4)nc-3n(C)c2=O)N1
InChIInChI=1S/C16H17N5O/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/h4-8,11,17H,3,9H2,1-2H3
InChIKeyXNWDEMWJNJVCBD-UHFFFAOYSA-N
XLogP1.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The IUPAC name of 8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (CID 135921139) is 8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for 8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for 8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is CCC1Cn2c(c3nc(-c4ccccc4)nc-3n(C)c2=O)N1.
What is the InChIKey of 8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The InChIKey is XNWDEMWJNJVCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/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/h4-8,11,17H,3,9H2,1-2H3.
What are the key properties of 8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one has a molecular weight of 295.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is sourced from PubChem (CID 135921139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).