[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol

C9H9ClN4O3 — CID 21145902

IUPAC[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
SMILESOCC1OCC(n2cnc3c(Cl)ncnc32)O1
InChIInChI=1S/C9H9ClN4O3/c10-8-7-9(12-3-11-8)14(4-13-7)5-2-16-6(1-15)17-5/h3-6,15H,1-2H2
InChIKeyIMTIRYGJNHZVIL-UHFFFAOYSA-N
MW256.65 g/mol
LogP0.34
Rot. Bonds2

About [4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol

[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol (PubChem CID 21145902) has the molecular formula C9H9ClN4O3 and a molecular weight of 256.65 g/mol. Its IUPAC name is [4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
PubChem CID21145902
Molecular FormulaC9H9ClN4O3
Molecular Weight256.65 g/mol
Exact Mass256.04
IUPAC Name[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
SMILESOCC1OCC(n2cnc3c(Cl)ncnc32)O1
InChIInChI=1S/C9H9ClN4O3/c10-8-7-9(12-3-11-8)14(4-13-7)5-2-16-6(1-15)17-5/h3-6,15H,1-2H2
InChIKeyIMTIRYGJNHZVIL-UHFFFAOYSA-N
XLogP0.34
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.65
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 10037827
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145907
[(2S,4R)-4-(6-chloropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
CID 54345493
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol
CID 10706154
(2R,3R,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 12810918
(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87802918
[(1S,2S,4R,5R)-4-(6-chloropurin-9-yl)-3-oxabicyclo[3.2.0]hept-6-en-2-yl]methanol
CID 53375978
(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
(1R,2R,4R,5R)-2-(6-chloropurin-9-yl)-4-(hydroxymethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol
CID 22876977

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol (CID 21145902) is [4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol is OCC1OCC(n2cnc3c(Cl)ncnc32)O1.
What is the InChIKey of [4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol?
The InChIKey is IMTIRYGJNHZVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O3/c10-8-7-9(12-3-11-8)14(4-13-7)5-2-16-6(1-15)17-5/h3-6,15H,1-2H2.
What are the key properties of [4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol?
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 256.65 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 21145902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).