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

C12H17N5O3 — CID 67241978

IUPAC(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCN(C)c1ncnc2c1ncn2C1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C12H17N5O3/c1-16(2)11-10-12(14-5-13-11)17(6-15-10)9-3-7(19)8(4-18)20-9/h5-9,18-19H,3-4H2,1-2H3/t7-,8+,9?/m0/s1
InChIKeyVTQCBUANIGZYLF-ZQTLJVIJSA-N
MW279.30 g/mol
LogP-0.47
Rot. Bonds3

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

(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 67241978) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID67241978
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCN(C)c1ncnc2c1ncn2C1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C12H17N5O3/c1-16(2)11-10-12(14-5-13-11)17(6-15-10)9-3-7(19)8(4-18)20-9/h5-9,18-19H,3-4H2,1-2H3/t7-,8+,9?/m0/s1
InChIKeyVTQCBUANIGZYLF-ZQTLJVIJSA-N
XLogP-0.47
TPSA96.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

disodium;[(2R,3S,5R)-5-[6-(dimethylamino)purin-9-yl]-3-hydroxyoxolan-2-yl]methyl phosphate
CID 169439521
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
(2R,3S,5R)-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 90084187
5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23149721
N-but-3-ynyl-N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetamide
CID 164598743
(2R,3S,5R)-2-(hydroxymethyl)-5-[6-(1,2,4-triazol-4-yl)purin-9-yl]oxolan-3-ol
CID 10902839
(2R,3S,5R)-2-(hydroxymethyl)-5-[6-(1,2,4-triazol-4-yl)purin-9-yl]oxolan-3-ol
CID 10494771
(2R,3R,4S,5S)-4-(dimethylamino)-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 102504508

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 67241978) is (2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol is CN(C)c1ncnc2c1ncn2C1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is VTQCBUANIGZYLF-ZQTLJVIJSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-16(2)11-10-12(14-5-13-11)17(6-15-10)9-3-7(19)8(4-18)20-9/h5-9,18-19H,3-4H2,1-2H3/t7-,8+,9?/m0/s1.
What are the key properties of (2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 279.30 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 67241978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).