3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one

C10H11N5O — CID 163651085

IUPAC3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one
SMILESC=C1Cn2c(nc3c(ncn3CC)c2=O)N1
InChIInChI=1S/C10H11N5O/c1-3-14-5-11-7-8(14)13-10-12-6(2)4-15(10)9(7)16/h5H,2-4H2,1H3,(H,12,13)
InChIKeyRFEWHJNMNQFPGL-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.55
Rot. Bonds1

About 3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one

3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one (PubChem CID 163651085) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one.

Molecular Properties

Compound Name3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one
PubChem CID163651085
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one
SMILESC=C1Cn2c(nc3c(ncn3CC)c2=O)N1
InChIInChI=1S/C10H11N5O/c1-3-14-5-11-7-8(14)13-10-12-6(2)4-15(10)9(7)16/h5H,2-4H2,1H3,(H,12,13)
InChIKeyRFEWHJNMNQFPGL-UHFFFAOYSA-N
XLogP0.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one?
The IUPAC name of 3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one (CID 163651085) is 3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one.
What is the SMILES notation for 3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one?
The canonical SMILES for 3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one is C=C1Cn2c(nc3c(ncn3CC)c2=O)N1.
What is the InChIKey of 3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one?
The InChIKey is RFEWHJNMNQFPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-3-14-5-11-7-8(14)13-10-12-6(2)4-15(10)9(7)16/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one?
3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one has a molecular weight of 217.23 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methylidene-5,7-dihydroimidazo[1,2-a]purin-9-one is sourced from PubChem (CID 163651085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).