[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol

C13H19N5O2 — CID 170064725

IUPAC[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol
SMILESC[C@@H]1C[C@@H](CO)O[C@H]1n1cnc2c(N(C)C)ncnc21
InChIInChI=1S/C13H19N5O2/c1-8-4-9(5-19)20-13(8)18-7-16-10-11(17(2)3)14-6-15-12(10)18/h6-9,13,19H,4-5H2,1-3H3/t8-,9+,13-/m1/s1
InChIKeyMUOVBYUCSRWABN-VYUIOLGVSA-N
MW277.33 g/mol
LogP0.81
Rot. Bonds3

About [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol

[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol (PubChem CID 170064725) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol
PubChem CID170064725
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol
SMILESC[C@@H]1C[C@@H](CO)O[C@H]1n1cnc2c(N(C)C)ncnc21
InChIInChI=1S/C13H19N5O2/c1-8-4-9(5-19)20-13(8)18-7-16-10-11(17(2)3)14-6-15-12(10)18/h6-9,13,19H,4-5H2,1-3H3/t8-,9+,13-/m1/s1
InChIKeyMUOVBYUCSRWABN-VYUIOLGVSA-N
XLogP0.81
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S,5R)-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 90084187
(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 67241978
(2R,3R,4S,5S)-4-(dimethylamino)-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 102504508
(2R,3S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 144683634
[(3aR,4R,6R,6aS)-4-[6-(dimethylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 162858832
(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane
CID 145444491
[[6-ethoxy-9-[5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-2-yl]amino]thallium
CID 144654161
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
[(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol
CID 54381123
[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol
CID 71339758

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol (CID 170064725) is [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol is C[C@@H]1C[C@@H](CO)O[C@H]1n1cnc2c(N(C)C)ncnc21.
What is the InChIKey of [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol?
The InChIKey is MUOVBYUCSRWABN-VYUIOLGVSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8-4-9(5-19)20-13(8)18-7-16-10-11(17(2)3)14-6-15-12(10)18/h6-9,13,19H,4-5H2,1-3H3/t8-,9+,13-/m1/s1.
What are the key properties of [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol?
[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol has a molecular weight of 277.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol is sourced from PubChem (CID 170064725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).