2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one

C11H13N5O2 — CID 137031211

IUPAC2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one
SMILESC=C1CC(O)CC1n1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C11H13N5O2/c1-5-2-6(17)3-7(5)16-4-13-8-9(16)14-11(12)15-10(8)18/h4,6-7,17H,1-3H2,(H3,12,14,15,18)
InChIKeyVVCXTUPXOSLHAZ-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.05
Rot. Bonds1

About 2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one

2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one (PubChem CID 137031211) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one
PubChem CID137031211
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one
SMILESC=C1CC(O)CC1n1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C11H13N5O2/c1-5-2-6(17)3-7(5)16-4-13-8-9(16)14-11(12)15-10(8)18/h4,6-7,17H,1-3H2,(H3,12,14,15,18)
InChIKeyVVCXTUPXOSLHAZ-UHFFFAOYSA-N
XLogP-0.05
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
CID 135742598
2-amino-9-[(1S,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate
CID 141498659
2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate
CID 135616735
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate;hydrochloride
CID 136623180
acetic acid;2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
CID 135936918
[(1R,3S,5S)-3-(2-amino-6-oxo-1H-purin-9-yl)-5-hydroxy-2-methylidenecyclopentyl]methyl hypoiodite
CID 137160203
2-amino-9-[(1S,3R,4S)-4-hydroxy-2-methylidene-3-(propan-2-yloxymethyl)cyclopentyl]-1H-purin-6-one
CID 136950687
2-amino-9-[3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
CID 137138622
2-amino-9-[(3R,4S)-3-(hydroxymethyl)-4-methyl-2-methylidenecyclopentyl]-1H-purin-6-one
CID 163868604
2-amino-9-[3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;ethane
CID 143150519
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 135936945
2-amino-9-[(1S,3S,4S)-3-(fluoromethyl)-4-hydroxy-3-(hydroxymethyl)-2-oxocyclopentyl]-1H-purin-6-one
CID 139473656

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one?
The IUPAC name of 2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one (CID 137031211) is 2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one?
The canonical SMILES for 2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one is C=C1CC(O)CC1n1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one?
The InChIKey is VVCXTUPXOSLHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-5-2-6(17)3-7(5)16-4-13-8-9(16)14-11(12)15-10(8)18/h4,6-7,17H,1-3H2,(H3,12,14,15,18).
What are the key properties of 2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one?
2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one has a molecular weight of 247.26 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one is sourced from PubChem (CID 137031211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).