1-amino-5H-imidazo[2,1-b]purin-4-one

C7H6N6O — CID 156571670

IUPAC1-amino-5H-imidazo[2,1-b]purin-4-one
SMILESNn1cnc2c(=O)[nH]c3nccn3c21
InChIInChI=1S/C7H6N6O/c8-13-3-10-4-5(14)11-7-9-1-2-12(7)6(4)13/h1-3H,8H2,(H,9,11,14)
InChIKeyFMPIRBMCJOFKLJ-UHFFFAOYSA-N
MW190.17 g/mol
LogP-0.91
Rot. Bonds

About 1-amino-5H-imidazo[2,1-b]purin-4-one

1-amino-5H-imidazo[2,1-b]purin-4-one (PubChem CID 156571670) has the molecular formula C7H6N6O and a molecular weight of 190.17 g/mol. Its IUPAC name is 1-amino-5H-imidazo[2,1-b]purin-4-one.

Molecular Properties

Compound Name1-amino-5H-imidazo[2,1-b]purin-4-one
PubChem CID156571670
Molecular FormulaC7H6N6O
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name1-amino-5H-imidazo[2,1-b]purin-4-one
SMILESNn1cnc2c(=O)[nH]c3nccn3c21
InChIInChI=1S/C7H6N6O/c8-13-3-10-4-5(14)11-7-9-1-2-12(7)6(4)13/h1-3H,8H2,(H,9,11,14)
InChIKeyFMPIRBMCJOFKLJ-UHFFFAOYSA-N
XLogP-0.91
TPSA94.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-amino-3H-purine-2,6-dione
CID 57025497
1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one
CID 68635672
1-[(2R,5S)-5-[[[(1R,2R,4S)-2-(6-aminopurin-9-yl)-4-(dihydroxyphosphinothioyloxymethyl)cyclobutyl]methoxy-sulfanylphosphoryl]oxymethyl]oxolan-2-yl]-5H-imidazo[2,1-b]purin-4-one
CID 167195963
7,8-dimethoxy-4H-imidazo[1,2-a]quinazolin-5-one
CID 166476403
1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one
CID 157381174
1-[(1R,6R,9R,10R,15R,17R,18R)-9-(6-aminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one
CID 163717595
6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
CID 86213682
6-(2-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
CID 68751690
9-(6-oxo-2-sulfanylidene-3H-purin-9-yl)-2-sulfanylidene-3H-purin-6-one
CID 57006875
1-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-azido-18-[tert-butyl(dimethyl)silyl]oxy-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5H-imidazo[2,1-b]purin-4-one
CID 154620826
2-amino-9-cyclopentyl-1H-purin-6-one
CID 135408673
6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
CID 23018326

Frequently Asked Questions

What is the IUPAC name of 1-amino-5H-imidazo[2,1-b]purin-4-one?
The IUPAC name of 1-amino-5H-imidazo[2,1-b]purin-4-one (CID 156571670) is 1-amino-5H-imidazo[2,1-b]purin-4-one.
What is the SMILES notation for 1-amino-5H-imidazo[2,1-b]purin-4-one?
The canonical SMILES for 1-amino-5H-imidazo[2,1-b]purin-4-one is Nn1cnc2c(=O)[nH]c3nccn3c21.
What is the InChIKey of 1-amino-5H-imidazo[2,1-b]purin-4-one?
The InChIKey is FMPIRBMCJOFKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O/c8-13-3-10-4-5(14)11-7-9-1-2-12(7)6(4)13/h1-3H,8H2,(H,9,11,14).
What are the key properties of 1-amino-5H-imidazo[2,1-b]purin-4-one?
1-amino-5H-imidazo[2,1-b]purin-4-one has a molecular weight of 190.17 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5H-imidazo[2,1-b]purin-4-one is sourced from PubChem (CID 156571670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).