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

C13H19N5O3 — CID 10891691

IUPAC(2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol
SMILESCN(C)c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O
InChIInChI=1S/C13H19N5O3/c1-17(2)11-7-3-4-18(12(7)16-6-15-11)13-10(20)9(14)8(5-19)21-13/h3-4,6,8-10,13,19-20H,5,14H2,1-2H3/t8-,9-,10-,13-/m1/s1
InChIKeyPJVKJYHENOSEAW-VWMGYNLJSA-N
MW293.33 g/mol
LogP-0.92
Rot. Bonds3

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

(2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol (PubChem CID 10891691) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is (2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol
PubChem CID10891691
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name(2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol
SMILESCN(C)c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O
InChIInChI=1S/C13H19N5O3/c1-17(2)11-7-3-4-18(12(7)16-6-15-11)13-10(20)9(14)8(5-19)21-13/h3-4,6,8-10,13,19-20H,5,14H2,1-2H3/t8-,9-,10-,13-/m1/s1
InChIKeyPJVKJYHENOSEAW-VWMGYNLJSA-N
XLogP-0.92
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3S,4R,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 93481352
(2R,3R,4R,5S,6S,7R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-7-(hydroxymethyl)oxepane-3,4,5,6-tetrol
CID 71171797
(2R,3S,4R,5R)-2-[(2-aminoquinolin-7-yl)oxymethyl]-5-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 140901665
(3R,4S,5R)-2-(hydroxymethyl)-5-[4-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 86576506
(2R,3S,5R)-2-(4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 122412970
(2S,3S,4S,5S)-2-(4-hydrazinylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 92534365
(2R,3S,5R)-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 90084187
(2R,3S,4S,5R,6S,7R)-7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-6-fluoro-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940152
(3S,4S,5S)-4-amino-2-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 131844012
(2R,3R,4R,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 12800105
(2R,3R,4S,5S)-4-(dimethylamino)-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 102504508
(2R,3R,4S,5R)-2-(4-cyclopentylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 156832552

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol (CID 10891691) is (2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol is CN(C)c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol?
The InChIKey is PJVKJYHENOSEAW-VWMGYNLJSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-17(2)11-7-3-4-18(12(7)16-6-15-11)13-10(20)9(14)8(5-19)21-13/h3-4,6,8-10,13,19-20H,5,14H2,1-2H3/t8-,9-,10-,13-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol has a molecular weight of 293.33 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-4-amino-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 10891691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).