9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine

C13H18N4O2 — CID 167678513

IUPAC9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine
SMILESCOC[C@@H]1CC[C@H](n2c(C)nc3c(C)ncnc32)O1
InChIInChI=1S/C13H18N4O2/c1-8-12-13(15-7-14-8)17(9(2)16-12)11-5-4-10(19-11)6-18-3/h7,10-11H,4-6H2,1-3H3/t10-,11+/m0/s1
InChIKeyPGVCQSDMPHXDSX-WDEREUQCSA-N
MW262.31 g/mol
LogP1.77
Rot. Bonds3

About 9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine

9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine (PubChem CID 167678513) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine.

Molecular Properties

Compound Name9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine
PubChem CID167678513
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine
SMILESCOC[C@@H]1CC[C@H](n2c(C)nc3c(C)ncnc32)O1
InChIInChI=1S/C13H18N4O2/c1-8-12-13(15-7-14-8)17(9(2)16-12)11-5-4-10(19-11)6-18-3/h7,10-11H,4-6H2,1-3H3/t10-,11+/m0/s1
InChIKeyPGVCQSDMPHXDSX-WDEREUQCSA-N
XLogP1.77
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2R,4S)-2-(6,8-dimethylpurin-9-yl)-4-(methoxymethyl)cyclopentan-1-ol
CID 159736641
(3R,4S,5R)-2-(6,8-dimethylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59070010
6-chloro-9-[5-(methoxymethyl)oxolan-2-yl]purine-2-carbonitrile
CID 142057191
9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136592210
[(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 155703606
(2R,5R)-2-(6,8-dimethylpurin-9-yl)-4,5-diethyloxolan-3-ol
CID 59892718
(2R,5S)-2-(6,8-dimethylpurin-9-yl)-4-ethyl-5-(hydroxymethyl)oxolan-3-ol
CID 59892763
6-chloro-9-[(2R,3S,4R,5R)-3,4-dideuterio-5-(methoxymethyl)oxolan-2-yl]purine
CID 150598800
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
CID 129389721
[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
CID 138569278
1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851340

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine?
The IUPAC name of 9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine (CID 167678513) is 9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine.
What is the SMILES notation for 9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine?
The canonical SMILES for 9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine is COC[C@@H]1CC[C@H](n2c(C)nc3c(C)ncnc32)O1.
What is the InChIKey of 9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine?
The InChIKey is PGVCQSDMPHXDSX-WDEREUQCSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-12-13(15-7-14-8)17(9(2)16-12)11-5-4-10(19-11)6-18-3/h7,10-11H,4-6H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of 9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine?
9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine has a molecular weight of 262.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine is sourced from PubChem (CID 167678513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).