(2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol

C12H16N4O3 — CID 46181793

IUPAC(2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol
SMILESCc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C12H16N4O3/c1-6-10-12(14-4-13-6)16(5-15-10)9-3-8(17)11(18)7(2)19-9/h4-5,7-9,11,17-18H,3H2,1-2H3/t7-,8+,9-,11-/m1/s1
InChIKeyVFQOMZOQYYHVLJ-PKIKSRDPSA-N
MW264.29 g/mol
LogP0.16
Rot. Bonds1

About (2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol

(2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol (PubChem CID 46181793) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is (2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol
PubChem CID46181793
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name(2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol
SMILESCc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C12H16N4O3/c1-6-10-12(14-4-13-6)16(5-15-10)9-3-8(17)11(18)7(2)19-9/h4-5,7-9,11,17-18H,3H2,1-2H3/t7-,8+,9-,11-/m1/s1
InChIKeyVFQOMZOQYYHVLJ-PKIKSRDPSA-N
XLogP0.16
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4S,5S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4,5-triol
CID 46181794
(2S,3aR,6R,6aS)-2-(6-methylpurin-9-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
CID 163826997
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol
CID 10706154
[(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol
CID 58834008
(2R,3S,4S,6R)-6-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 21139829
4-[[9-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]purin-6-yl]amino]butane-1,2,3-triol
CID 90981604
(2R,3S,4S,5S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 143417477
(3S,5R,7S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 173496028
(2S,3R,4S)-4-fluoro-3-hydroxy-5-(6-methylpurin-9-yl)oxolane-2-carboxylic acid
CID 118246302
(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 67241978
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
(2R,3R,4S,5S)-2-(6-methylpurin-9-yl)-5-(2H-thiet-2-yl)oxolane-3,4-diol
CID 69219762

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol (CID 46181793) is (2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol is Cc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1.
What is the InChIKey of (2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol?
The InChIKey is VFQOMZOQYYHVLJ-PKIKSRDPSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-6-10-12(14-4-13-6)16(5-15-10)9-3-8(17)11(18)7(2)19-9/h4-5,7-9,11,17-18H,3H2,1-2H3/t7-,8+,9-,11-/m1/s1.
What are the key properties of (2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol?
(2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol has a molecular weight of 264.29 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol is sourced from PubChem (CID 46181793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).