(2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol

C11H13IN4O3 — CID 11740220

IUPAC(2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SMILESNC[C@H]1O[C@@H](n2cc(I)c3cncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H13IN4O3/c12-6-3-16(10-5(6)2-14-4-15-10)11-9(18)8(17)7(1-13)19-11/h2-4,7-9,11,17-18H,1,13H2/t7-,8-,9-,11-/m1/s1
InChIKeyBGIROOQCPBOBNS-TURQNECASA-N
MW376.15 g/mol
LogP-0.39
Rot. Bonds2

About (2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol

(2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (PubChem CID 11740220) has the molecular formula C11H13IN4O3 and a molecular weight of 376.15 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
PubChem CID11740220
Molecular FormulaC11H13IN4O3
Molecular Weight376.15 g/mol
Exact Mass376.00
IUPAC Name(2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SMILESNC[C@H]1O[C@@H](n2cc(I)c3cncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H13IN4O3/c12-6-3-16(10-5(6)2-14-4-15-10)11-9(18)8(17)7(1-13)19-11/h2-4,7-9,11,17-18H,1,13H2/t7-,8-,9-,11-/m1/s1
InChIKeyBGIROOQCPBOBNS-TURQNECASA-N
XLogP-0.39
TPSA106.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(aminomethyl)oxolane-3,4-diol
CID 53252934
(2R,3R,4S,5S)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(aminomethyl)oxolane-3,4-diol
CID 10949191
(2R,3S,4R,5S)-2-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(chloromethyl)oxolane-3,4-diol
CID 57063340
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 142650218
(2R,3S,4S)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 70508300
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
CID 676112
(2R,3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(azidomethyl)oxolane-3,4-diol
CID 10835751
(2S,3S,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 11734107
(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
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
CID 14862335
[(2R,3R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-yl]methyl dihydrogen phosphate
CID 163766650
(2S,3S,4S,5S)-2-(4-hydrazinylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 92534365

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (CID 11740220) is (2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is NC[C@H]1O[C@@H](n2cc(I)c3cncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The InChIKey is BGIROOQCPBOBNS-TURQNECASA-N. The full InChI is InChI=1S/C11H13IN4O3/c12-6-3-16(10-5(6)2-14-4-15-10)11-9(18)8(17)7(1-13)19-11/h2-4,7-9,11,17-18H,1,13H2/t7-,8-,9-,11-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol has a molecular weight of 376.15 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(aminomethyl)-5-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is sourced from PubChem (CID 11740220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).