(2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol

C15H22N4O2 — CID 59892718

IUPAC(2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol
SMILESCCC1C(O)[C@H](n2c(C)nc3c(C)ncnc32)O[C@@H]1CC
InChIInChI=1S/C15H22N4O2/c1-5-10-11(6-2)21-15(13(10)20)19-9(4)18-12-8(3)16-7-17-14(12)19/h7,10-11,13,15,20H,5-6H2,1-4H3/t10?,11-,13?,15-/m1/s1
InChIKeyJXBYEOBDUUHSOO-WGJVFSFXSA-N
MW290.37 g/mol
LogP2.14
Rot. Bonds3

About (2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol

(2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol (PubChem CID 59892718) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol.

Molecular Properties

Compound Name(2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol
PubChem CID59892718
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol
SMILESCCC1C(O)[C@H](n2c(C)nc3c(C)ncnc32)O[C@@H]1CC
InChIInChI=1S/C15H22N4O2/c1-5-10-11(6-2)21-15(13(10)20)19-9(4)18-12-8(3)16-7-17-14(12)19/h7,10-11,13,15,20H,5-6H2,1-4H3/t10?,11-,13?,15-/m1/s1
InChIKeyJXBYEOBDUUHSOO-WGJVFSFXSA-N
XLogP2.14
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,5S)-2-(6,8-dimethylpurin-9-yl)-4-ethyl-5-(hydroxymethyl)oxolan-3-ol
CID 59892763
(3R,4S,5R)-2-(6,8-dimethylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59070010
[(2S,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium chloride
CID 25231313
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-[[2-(methylamino)ethylamino]methyl]oxolane-3,4-diol
CID 25233766
[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 50916646
(1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol
CID 159736641
9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine
CID 167678513
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-[2-hydroxy-2-[2-(methylamino)ethylamino]ethyl]oxolane-3,4-diol
CID 25181594
(2R,3R,4S,5R)-2-[8-bromo-6-(butylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 57028284
(3R,4S,5R)-2-(4,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 118636138
N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide
CID 87180592
2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide
CID 25183746

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol?
The IUPAC name of (2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol (CID 59892718) is (2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol.
What is the SMILES notation for (2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol?
The canonical SMILES for (2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol is CCC1C(O)[C@H](n2c(C)nc3c(C)ncnc32)O[C@@H]1CC.
What is the InChIKey of (2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol?
The InChIKey is JXBYEOBDUUHSOO-WGJVFSFXSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-10-11(6-2)21-15(13(10)20)19-9(4)18-12-8(3)16-7-17-14(12)19/h7,10-11,13,15,20H,5-6H2,1-4H3/t10?,11-,13?,15-/m1/s1.
What are the key properties of (2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol?
(2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol has a molecular weight of 290.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol is sourced from PubChem (CID 59892718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).