(2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol

C12H15N3O4 — CID 162472566

IUPAC(2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol
SMILESCOc1ncnc2c1ccn2[C@@H]1O[C@H](CO)C[C@@H]1O
InChIInChI=1S/C12H15N3O4/c1-18-11-8-2-3-15(10(8)13-6-14-11)12-9(17)4-7(5-16)19-12/h2-3,6-7,9,12,16-17H,4-5H2,1H3/t7-,9-,12+/m0/s1
InChIKeyUQAWORGCRJBWPG-QOSJWCAFSA-N
MW265.27 g/mol
LogP0.08
Rot. Bonds3

About (2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol

(2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol (PubChem CID 162472566) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol
PubChem CID162472566
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name(2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol
SMILESCOc1ncnc2c1ccn2[C@@H]1O[C@H](CO)C[C@@H]1O
InChIInChI=1S/C12H15N3O4/c1-18-11-8-2-3-15(10(8)13-6-14-11)12-9(17)4-7(5-16)19-12/h2-3,6-7,9,12,16-17H,4-5H2,1H3/t7-,9-,12+/m0/s1
InChIKeyUQAWORGCRJBWPG-QOSJWCAFSA-N
XLogP0.08
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
[(1R,2R,4R,5S)-4-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 87571733
(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol
CID 166720086
(2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol
CID 67462865
7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine
CID 154947058
(2R,3R,5S)-2-(4-amino-5-ethynylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 138579625
(2R,3S,5R)-2-(hydroxymethyl)-5-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
CID 14410743
(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
1-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylpyrimidin-2-one
CID 123150382
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-(4-methoxyphenyl)sulfanylpyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 177297084
5-(hydroxymethyl)-2-[6-[1-(3,4,5-trimethoxyphenyl)ethylamino]purin-9-yl]oxolan-3-ol
CID 123709591
(3R,4S,5R)-2-(hydroxymethyl)-5-[4-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 86576506

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol (CID 162472566) is (2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol is COc1ncnc2c1ccn2[C@@H]1O[C@H](CO)C[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol?
The InChIKey is UQAWORGCRJBWPG-QOSJWCAFSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-18-11-8-2-3-15(10(8)13-6-14-11)12-9(17)4-7(5-16)19-12/h2-3,6-7,9,12,16-17H,4-5H2,1H3/t7-,9-,12+/m0/s1.
What are the key properties of (2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol?
(2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol has a molecular weight of 265.27 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol is sourced from PubChem (CID 162472566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).