3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol

C14H17ClN4O2 — CID 134844933

IUPAC3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol
SMILESOCC12CCC(CC(n3cnc4c(Cl)ncnc43)C1)C2O
InChIInChI=1S/C14H17ClN4O2/c15-12-10-13(17-6-16-12)19(7-18-10)9-3-8-1-2-14(4-9,5-20)11(8)21/h6-9,11,20-21H,1-5H2
InChIKeyUEJRKDAHLCGOKW-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.56
Rot. Bonds2

About 3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol

3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol (PubChem CID 134844933) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol
PubChem CID134844933
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol
SMILESOCC12CCC(CC(n3cnc4c(Cl)ncnc43)C1)C2O
InChIInChI=1S/C14H17ClN4O2/c15-12-10-13(17-6-16-12)19(7-18-10)9-3-8-1-2-14(4-9,5-20)11(8)21/h6-9,11,20-21H,1-5H2
InChIKeyUEJRKDAHLCGOKW-UHFFFAOYSA-N
XLogP1.56
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol with MolForge

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Related Compounds

[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87802918
(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol
CID 101423148
6-chloro-9-(3-methylcyclopentyl)purine
CID 171628994
6-chloro-9-[(1R,2S,3S,4S)-3-(6-chloropurin-9-yl)-1-methyl-2-bicyclo[2.2.1]heptanyl]purine
CID 46906240
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
CID 10999010
9-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-chloropurine
CID 56676591
[(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol
CID 11230472
(2S,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 162030901
(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 122362415
6-chloro-9-[(1R,2S,4S)-5,5-difluoro-2-bicyclo[2.2.1]heptanyl]purine
CID 46906150

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol?
The IUPAC name of 3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol (CID 134844933) is 3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol is OCC12CCC(CC(n3cnc4c(Cl)ncnc43)C1)C2O.
What is the InChIKey of 3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol?
The InChIKey is UEJRKDAHLCGOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-12-10-13(17-6-16-12)19(7-18-10)9-3-8-1-2-14(4-9,5-20)11(8)21/h6-9,11,20-21H,1-5H2.
What are the key properties of 3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol?
3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol has a molecular weight of 308.77 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 134844933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).