(2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol

C11H15N5O4 — CID 14410745

IUPAC(2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCOc1nc(N)nc2nn([C@H]3C[C@H](O)[C@@H](CO)O3)cc12
InChIInChI=1S/C11H15N5O4/c1-19-10-5-3-16(15-9(5)13-11(12)14-10)8-2-6(18)7(4-17)20-8/h3,6-8,17-18H,2,4H2,1H3,(H2,12,13,15)/t6-,7+,8+/m0/s1
InChIKeyUJWAVIGXKDJNED-XLPZGREQSA-N
MW281.27 g/mol
LogP-0.94
Rot. Bonds3

About (2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 14410745) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID14410745
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name(2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCOc1nc(N)nc2nn([C@H]3C[C@H](O)[C@@H](CO)O3)cc12
InChIInChI=1S/C11H15N5O4/c1-19-10-5-3-16(15-9(5)13-11(12)14-10)8-2-6(18)7(4-17)20-8/h3,6-8,17-18H,2,4H2,1H3,(H2,12,13,15)/t6-,7+,8+/m0/s1
InChIKeyUJWAVIGXKDJNED-XLPZGREQSA-N
XLogP-0.94
TPSA128.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135518230
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
5-(6-amino-3-iodo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 20614249
(2R,3S,5S)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-2-yl)oxolan-3-ol
CID 15031074
(2R,3S,5R)-5-[2-amino-6-(methoxyamino)purin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 20591849
(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
CID 148902630
(2R,3S,5S)-5-(2-aminopurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 102301563
(2S,3R,5R)-5-(2-bromo-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921806
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
(2R,3S,5R)-2-(hydroxymethyl)-5-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
CID 14410743
(2R,3S,5R)-5-(5-fluoro-2,4-dimethoxypyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 102407906

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 14410745) is (2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol is COc1nc(N)nc2nn([C@H]3C[C@H](O)[C@@H](CO)O3)cc12.
What is the InChIKey of (2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is UJWAVIGXKDJNED-XLPZGREQSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-19-10-5-3-16(15-9(5)13-11(12)14-10)8-2-6(18)7(4-17)20-8/h3,6-8,17-18H,2,4H2,1H3,(H2,12,13,15)/t6-,7+,8+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 281.27 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 14410745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).