[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol

C11H13N5O — CID 20846249

IUPAC[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol
SMILESC=C1C(CO)CC1n1cnc2c(N)ncnc21
InChIInChI=1S/C11H13N5O/c1-6-7(3-17)2-8(6)16-5-15-9-10(12)13-4-14-11(9)16/h4-5,7-8,17H,1-3H2,(H2,12,13,14)
InChIKeyFKXOFPQQCGUUHV-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.52
Rot. Bonds2

About [3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol

[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol (PubChem CID 20846249) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is [3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol.

Molecular Properties

Compound Name[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol
PubChem CID20846249
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol
SMILESC=C1C(CO)CC1n1cnc2c(N)ncnc21
InChIInChI=1S/C11H13N5O/c1-6-7(3-17)2-8(6)16-5-15-9-10(12)13-4-14-11(9)16/h4-5,7-8,17H,1-3H2,(H2,12,13,14)
InChIKeyFKXOFPQQCGUUHV-UHFFFAOYSA-N
XLogP0.52
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol
CID 15077057
cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
CID 11987727
[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 101208456
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
CID 23358719
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)thiolan-3-ol
CID 22844868
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 101351656

Frequently Asked Questions

What is the IUPAC name of [3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol?
The IUPAC name of [3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol (CID 20846249) is [3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol.
What is the SMILES notation for [3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol?
The canonical SMILES for [3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol is C=C1C(CO)CC1n1cnc2c(N)ncnc21.
What is the InChIKey of [3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol?
The InChIKey is FKXOFPQQCGUUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-6-7(3-17)2-8(6)16-5-15-9-10(12)13-4-14-11(9)16/h4-5,7-8,17H,1-3H2,(H2,12,13,14).
What are the key properties of [3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol?
[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol has a molecular weight of 231.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol is sourced from PubChem (CID 20846249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).