[(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol

C12H15N5O2 — CID 163438236

IUPAC[(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol
SMILESCC1=C(CO)O[C@@H](n2cnc3c(N)ncnc32)C1C
InChIInChI=1S/C12H15N5O2/c1-6-7(2)12(19-8(6)3-18)17-5-16-9-10(13)14-4-15-11(9)17/h4-5,7,12,18H,3H2,1-2H3,(H2,13,14,15)/t7?,12-/m1/s1
InChIKeyAWIKXSSGAWJLMA-RKSKCOGQSA-N
MW261.28 g/mol
LogP0.84
Rot. Bonds2

About [(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol

[(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol (PubChem CID 163438236) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is [(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol
PubChem CID163438236
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name[(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol
SMILESCC1=C(CO)O[C@@H](n2cnc3c(N)ncnc32)C1C
InChIInChI=1S/C12H15N5O2/c1-6-7(2)12(19-8(6)3-18)17-5-16-9-10(13)14-4-15-11(9)17/h4-5,7,12,18H,3H2,1-2H3,(H2,13,14,15)/t7?,12-/m1/s1
InChIKeyAWIKXSSGAWJLMA-RKSKCOGQSA-N
XLogP0.84
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol with MolForge

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Related Compounds

(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
CID 676784
(2R,3R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 11492528
(2R,3R,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-methyloxane-3,4,5-triol
CID 54068544
2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol
CID 21338241
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
[(1S,3R)-3-(6-aminopurin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 162781865
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 68808455
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol?
The IUPAC name of [(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol (CID 163438236) is [(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol.
What is the SMILES notation for [(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol?
The canonical SMILES for [(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol is CC1=C(CO)O[C@@H](n2cnc3c(N)ncnc32)C1C.
What is the InChIKey of [(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol?
The InChIKey is AWIKXSSGAWJLMA-RKSKCOGQSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-6-7(2)12(19-8(6)3-18)17-5-16-9-10(13)14-4-15-11(9)17/h4-5,7,12,18H,3H2,1-2H3,(H2,13,14,15)/t7?,12-/m1/s1.
What are the key properties of [(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol?
[(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol has a molecular weight of 261.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol is sourced from PubChem (CID 163438236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).