2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol

C10H12N4O3 — CID 172806885

IUPAC2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SMILESNc1ncnc2c1ccn2C1OCC(O)C1O
InChIInChI=1S/C10H12N4O3/c11-8-5-1-2-14(9(5)13-4-12-8)10-7(16)6(15)3-17-10/h1-2,4,6-7,10,15-16H,3H2,(H2,11,12,13)
InChIKeyRQBRCENMDGDENE-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.74
Rot. Bonds1

About 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol

2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (PubChem CID 172806885) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
PubChem CID172806885
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SMILESNc1ncnc2c1ccn2C1OCC(O)C1O
InChIInChI=1S/C10H12N4O3/c11-8-5-1-2-14(9(5)13-4-12-8)10-7(16)6(15)3-17-10/h1-2,4,6-7,10,15-16H,3H2,(H2,11,12,13)
InChIKeyRQBRCENMDGDENE-UHFFFAOYSA-N
XLogP-0.74
TPSA106.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 11689081
(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,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(dimethylamino)methyl]oxolan-3-ol
CID 166720086
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol
CID 175806590
(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
(3R,4S,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(1R)-6-chloro-1,3-dihydro-2-benzofuran-1-yl]oxolane-3,4-diol
CID 165062759
(3R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(S)-hydroxy(phenyl)methyl]oxolane-3,4-diol
CID 166161383
[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 175676082
7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 163819918
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxyoxolane-2-carbaldehyde
CID 131965804

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The IUPAC name of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (CID 172806885) is 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.
What is the SMILES notation for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The canonical SMILES for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is Nc1ncnc2c1ccn2C1OCC(O)C1O.
What is the InChIKey of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The InChIKey is RQBRCENMDGDENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-8-5-1-2-14(9(5)13-4-12-8)10-7(16)6(15)3-17-10/h1-2,4,6-7,10,15-16H,3H2,(H2,11,12,13).
What are the key properties of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol has a molecular weight of 236.23 g/mol, XLogP of -0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is sourced from PubChem (CID 172806885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).