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

C10H11IN4O3 — CID 11689081

IUPAC(2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SMILESNc1ncnc2c1c(I)cn2[C@@H]1OC[C@@H](O)[C@H]1O
InChIInChI=1S/C10H11IN4O3/c11-4-1-15(10-7(17)5(16)2-18-10)9-6(4)8(12)13-3-14-9/h1,3,5,7,10,16-17H,2H2,(H2,12,13,14)/t5-,7-,10-/m1/s1
InChIKeyFCQRSIRQJDJDTD-VISXPRAWSA-N
MW362.13 g/mol
LogP-0.13
Rot. Bonds1

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

(2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (PubChem CID 11689081) has the molecular formula C10H11IN4O3 and a molecular weight of 362.13 g/mol. Its IUPAC name is (2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
PubChem CID11689081
Molecular FormulaC10H11IN4O3
Molecular Weight362.13 g/mol
Exact Mass361.99
IUPAC Name(2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SMILESNc1ncnc2c1c(I)cn2[C@@H]1OC[C@@H](O)[C@H]1O
InChIInChI=1S/C10H11IN4O3/c11-4-1-15(10-7(17)5(16)2-18-10)9-6(4)8(12)13-3-14-9/h1,3,5,7,10,16-17H,2H2,(H2,12,13,14)/t5-,7-,10-/m1/s1
InChIKeyFCQRSIRQJDJDTD-VISXPRAWSA-N
XLogP-0.13
TPSA106.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.13
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 172806885
(2R,3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(azidomethyl)oxolane-3,4-diol
CID 10835751
(2S,3R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154810042
[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 164929802
(2R,3R,4R)-2-[4-amino-5-[2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 142484292
(2R,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 70837581
[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 164929801
sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate
CID 158702381
(2R)-2-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol
CID 166767357
7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 70975742

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (CID 11689081) is (2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is Nc1ncnc2c1c(I)cn2[C@@H]1OC[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The InChIKey is FCQRSIRQJDJDTD-VISXPRAWSA-N. The full InChI is InChI=1S/C10H11IN4O3/c11-4-1-15(10-7(17)5(16)2-18-10)9-6(4)8(12)13-3-14-9/h1,3,5,7,10,16-17H,2H2,(H2,12,13,14)/t5-,7-,10-/m1/s1.
What are the key properties of (2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
(2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol has a molecular weight of 362.13 g/mol, XLogP of -0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is sourced from PubChem (CID 11689081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).