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

C12H17N5O3 — CID 10612692

IUPAC(2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol
SMILESCNc1ncnc2c1ncn2[C@@H]1CO[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C12H17N5O3/c1-13-11-10-12(15-5-14-11)17(6-16-10)7-2-8(19)9(3-18)20-4-7/h5-9,18-19H,2-4H2,1H3,(H,13,14,15)/t7-,8-,9+/m0/s1
InChIKeyQWSYPKODASHNGZ-XHNCKOQMSA-N
MW279.30 g/mol
LogP-0.45
Rot. Bonds3

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

(2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol (PubChem CID 10612692) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol
PubChem CID10612692
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name(2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol
SMILESCNc1ncnc2c1ncn2[C@@H]1CO[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C12H17N5O3/c1-13-11-10-12(15-5-14-11)17(6-16-10)7-2-8(19)9(3-18)20-4-7/h5-9,18-19H,2-4H2,1H3,(H,13,14,15)/t7-,8-,9+/m0/s1
InChIKeyQWSYPKODASHNGZ-XHNCKOQMSA-N
XLogP-0.45
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
CID 10611714
(2R,3S,5R)-5-deuterio-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 171484455
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol
CID 5284425
(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
tetrasodium;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol;tetranitrite
CID 24832760
(2R,3S,4R,5R)-2-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol
CID 66916953
9-[(3S,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-1H-purin-6-one
CID 135511845
(2R,3R,4R,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolane-3,4-diol
CID 24885223
5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23149721
(2R,3R,4S,5R)-2-[6-(deuteriomethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 170698901
[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamic acid
CID 146237407
[(2R,4S)-4-[6-(methylamino)purin-9-yl]-3-methylidenethiolan-2-yl]methanol
CID 11818246

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol?
The IUPAC name of (2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol (CID 10612692) is (2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol.
What is the SMILES notation for (2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol?
The canonical SMILES for (2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol is CNc1ncnc2c1ncn2[C@@H]1CO[C@H](CO)[C@@H](O)C1.
What is the InChIKey of (2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol?
The InChIKey is QWSYPKODASHNGZ-XHNCKOQMSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-13-11-10-12(15-5-14-11)17(6-16-10)7-2-8(19)9(3-18)20-4-7/h5-9,18-19H,2-4H2,1H3,(H,13,14,15)/t7-,8-,9+/m0/s1.
What are the key properties of (2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol?
(2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol has a molecular weight of 279.30 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol is sourced from PubChem (CID 10612692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).