4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol

C11H16N6O — CID 144745895

IUPAC4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
SMILESNCC1CC(O)C(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C11H16N6O/c12-3-6-1-7(8(18)2-6)17-5-16-9-10(13)14-4-15-11(9)17/h4-8,18H,1-3,12H2,(H2,13,14,15)
InChIKeyZPEZXAKGFWUPDM-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.32
Rot. Bonds2

About 4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol

4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol (PubChem CID 144745895) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
PubChem CID144745895
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
SMILESNCC1CC(O)C(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C11H16N6O/c12-3-6-1-7(8(18)2-6)17-5-16-9-10(13)14-4-15-11(9)17/h4-8,18H,1-3,12H2,(H2,13,14,15)
InChIKeyZPEZXAKGFWUPDM-UHFFFAOYSA-N
XLogP-0.32
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[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
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
[(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
(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 23241675
(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide
CID 57098352
cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
CID 11987727
[(1R,3S,4S)-3-(6-aminopurin-9-yl)-4-azidocyclopentyl]methanol
CID 21145541
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 101351656
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol?
The IUPAC name of 4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol (CID 144745895) is 4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol.
What is the SMILES notation for 4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol?
The canonical SMILES for 4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol is NCC1CC(O)C(n2cnc3c(N)ncnc32)C1.
What is the InChIKey of 4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol?
The InChIKey is ZPEZXAKGFWUPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-3-6-1-7(8(18)2-6)17-5-16-9-10(13)14-4-15-11(9)17/h4-8,18H,1-3,12H2,(H2,13,14,15).
What are the key properties of 4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol?
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol has a molecular weight of 248.29 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol is sourced from PubChem (CID 144745895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).