(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol

C11H15N5O3 — CID 162472561

IUPAC(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
SMILESCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1O
InChIInChI=1S/C11H15N5O3/c1-12-9-8-10(14-4-13-9)16(5-15-8)11-7(18)2-6(3-17)19-11/h4-7,11,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7-,11+/m0/s1
InChIKeyWXYNSDAXSPZXOS-OKTBNZSVSA-N
MW265.27 g/mol
LogP-0.49
Rot. Bonds3

About (2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol

(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol (PubChem CID 162472561) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
PubChem CID162472561
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
SMILESCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1O
InChIInChI=1S/C11H15N5O3/c1-12-9-8-10(14-4-13-9)16(5-15-8)11-7(18)2-6(3-17)19-11/h4-7,11,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7-,11+/m0/s1
InChIKeyWXYNSDAXSPZXOS-OKTBNZSVSA-N
XLogP-0.49
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 78302111
5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol
CID 5284425
(2R,5S)-5-(hydroxymethyl)-2-[6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]oxolan-3-ol
CID 163914007
(2R,5S)-2-[6-(9H-fluoren-9-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 70913001
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
1-[3-[[9-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pyrrolidin-1-yl]ethanone
CID 21074565
(2R,3S,5R)-5-deuterio-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 171484455
5-(hydroxymethyl)-2-[6-[1-(3,4,5-trimethoxyphenyl)ethylamino]purin-9-yl]oxolan-3-ol
CID 123709591
(2R,3R,5S)-5-(hydroxymethyl)-2-[6-[(4-methoxyphenyl)methylsulfanylmethylamino]purin-9-yl]oxolan-3-ol
CID 69265080
(2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol
CID 10612692
tetrasodium;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol;tetranitrite
CID 24832760

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol (CID 162472561) is (2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol is CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol?
The InChIKey is WXYNSDAXSPZXOS-OKTBNZSVSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-12-9-8-10(14-4-13-9)16(5-15-8)11-7(18)2-6(3-17)19-11/h4-7,11,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7-,11+/m0/s1.
What are the key properties of (2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol?
(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol has a molecular weight of 265.27 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol is sourced from PubChem (CID 162472561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).