(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol

C13H19N5O2 — CID 166720086

IUPAC(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol
SMILESCN(C)C[C@@H]1C[C@@H](O)[C@H](n2ccc3c(N)ncnc32)O1
InChIInChI=1S/C13H19N5O2/c1-17(2)6-8-5-10(19)13(20-8)18-4-3-9-11(14)15-7-16-12(9)18/h3-4,7-8,10,13,19H,5-6H2,1-2H3,(H2,14,15,16)/t8-,10+,13+/m0/s1
InChIKeyXIQMMBBEJXXIRT-IYYTYJHQSA-N
MW277.33 g/mol
LogP0.22
Rot. Bonds3

About (2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol

(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol (PubChem CID 166720086) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol
PubChem CID166720086
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol
SMILESCN(C)C[C@@H]1C[C@@H](O)[C@H](n2ccc3c(N)ncnc32)O1
InChIInChI=1S/C13H19N5O2/c1-17(2)6-8-5-10(19)13(20-8)18-4-3-9-11(14)15-7-16-12(9)18/h3-4,7-8,10,13,19H,5-6H2,1-2H3,(H2,14,15,16)/t8-,10+,13+/m0/s1
InChIKeyXIQMMBBEJXXIRT-IYYTYJHQSA-N
XLogP0.22
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol (CID 166720086) is (2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol is CN(C)C[C@@H]1C[C@@H](O)[C@H](n2ccc3c(N)ncnc32)O1.
What is the InChIKey of (2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol?
The InChIKey is XIQMMBBEJXXIRT-IYYTYJHQSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-17(2)6-8-5-10(19)13(20-8)18-4-3-9-11(14)15-7-16-12(9)18/h3-4,7-8,10,13,19H,5-6H2,1-2H3,(H2,14,15,16)/t8-,10+,13+/m0/s1.
What are the key properties of (2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol?
(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol has a molecular weight of 277.33 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 166720086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).