5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one

C8H9N5O — CID 10058372

IUPAC5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one
SMILESCN1C(=O)c2[nH]cnc2N2CCN=C12
InChIInChI=1S/C8H9N5O/c1-12-7(14)5-6(11-4-10-5)13-3-2-9-8(12)13/h4H,2-3H2,1H3,(H,10,11)
InChIKeyOREATXHYQOBLHW-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.33
Rot. Bonds

About 5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one

5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one (PubChem CID 10058372) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one.

Molecular Properties

Compound Name5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one
PubChem CID10058372
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one
SMILESCN1C(=O)c2[nH]cnc2N2CCN=C12
InChIInChI=1S/C8H9N5O/c1-12-7(14)5-6(11-4-10-5)13-3-2-9-8(12)13/h4H,2-3H2,1H3,(H,10,11)
InChIKeyOREATXHYQOBLHW-UHFFFAOYSA-N
XLogP-0.33
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one?
The IUPAC name of 5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one (CID 10058372) is 5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one.
What is the SMILES notation for 5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one?
The canonical SMILES for 5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one is CN1C(=O)c2[nH]cnc2N2CCN=C12.
What is the InChIKey of 5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one?
The InChIKey is OREATXHYQOBLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-12-7(14)5-6(11-4-10-5)13-3-2-9-8(12)13/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one?
5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one has a molecular weight of 191.19 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one is sourced from PubChem (CID 10058372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).