2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one

C12H17N5O3 — CID 144985591

IUPAC2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
SMILESCOC[C@@H]1C[C@H](C)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1
InChIInChI=1S/C12H17N5O3/c1-6-3-7(4-19-2)20-11(6)17-5-14-8-9(17)15-12(13)16-10(8)18/h5-7,11H,3-4H2,1-2H3,(H3,13,15,16,18)/t6-,7-,11+/m0/s1
InChIKeyQVTQQNJSSAMXNE-OKTBNZSVSA-N
MW279.30 g/mol
LogP0.27
Rot. Bonds3

About 2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one

2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one (PubChem CID 144985591) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
PubChem CID144985591
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
SMILESCOC[C@@H]1C[C@H](C)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1
InChIInChI=1S/C12H17N5O3/c1-6-3-7(4-19-2)20-11(6)17-5-14-8-9(17)15-12(13)16-10(8)18/h5-7,11H,3-4H2,1-2H3,(H3,13,15,16,18)/t6-,7-,11+/m0/s1
InChIKeyQVTQQNJSSAMXNE-OKTBNZSVSA-N
XLogP0.27
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one with MolForge

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Related Compounds

2-amino-9-[(2R,5S)-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-1H-purin-6-one;methanol
CID 163776222
[(2R,3S,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate
CID 137149054
[(2S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 135566825
2-amino-9-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135499692
[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(methoxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 137104151
2-amino-9-[(2R,4S,5R)-5-ethyl-4-methyl-3-trimethylsilyloxyoxolan-2-yl]-1H-purin-6-one
CID 136608592
2-amino-9-[5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-1H-purin-6-one
CID 136931549
2-amino-9-[(2S,3S,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
CID 135418169
2-amino-9-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
CID 137067944
2-[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]ethanethiolate
CID 142535862
2-amino-9-[5-(hydroxymethyl)-3-methoxy-4-phosphanyloxyoxolan-2-yl]-1H-purin-6-one
CID 153284814
2-amino-9-[3-hexadecoxy-5-(methoxymethyl)-4-[methoxy(methyl)phosphanyl]oxyoxolan-2-yl]-1H-purin-6-one
CID 170630766

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one (CID 144985591) is 2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one is COC[C@@H]1C[C@H](C)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1.
What is the InChIKey of 2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one?
The InChIKey is QVTQQNJSSAMXNE-OKTBNZSVSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-6-3-7(4-19-2)20-11(6)17-5-14-8-9(17)15-12(13)16-10(8)18/h5-7,11H,3-4H2,1-2H3,(H3,13,15,16,18)/t6-,7-,11+/m0/s1.
What are the key properties of 2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one?
2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one has a molecular weight of 279.30 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 144985591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).