(1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol

C10H13IN6O2 — CID 155527924

IUPAC(1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol
SMILESNc1ncnc2c1c(I)nn2[C@@H]1C[C@H](N)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H13IN6O2/c11-8-5-9(13)14-2-15-10(5)17(16-8)4-1-3(12)6(18)7(4)19/h2-4,6-7,18-19H,1,12H2,(H2,13,14,15)/t3-,4+,6+,7-/m0/s1
InChIKeyKGBDVGHICFMGKJ-HPQVQDLLSA-N
MW376.16 g/mol
LogP-0.99
Rot. Bonds1

About (1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol

(1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol (PubChem CID 155527924) has the molecular formula C10H13IN6O2 and a molecular weight of 376.16 g/mol. Its IUPAC name is (1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol
PubChem CID155527924
Molecular FormulaC10H13IN6O2
Molecular Weight376.16 g/mol
Exact Mass376.01
IUPAC Name(1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol
SMILESNc1ncnc2c1c(I)nn2[C@@H]1C[C@H](N)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H13IN6O2/c11-8-5-9(13)14-2-15-10(5)17(16-8)4-1-3(12)6(18)7(4)19/h2-4,6-7,18-19H,1,12H2,(H2,13,14,15)/t3-,4+,6+,7-/m0/s1
InChIKeyKGBDVGHICFMGKJ-HPQVQDLLSA-N
XLogP-0.99
TPSA136.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol (CID 155527924) is (1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol is Nc1ncnc2c1c(I)nn2[C@@H]1C[C@H](N)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol?
The InChIKey is KGBDVGHICFMGKJ-HPQVQDLLSA-N. The full InChI is InChI=1S/C10H13IN6O2/c11-8-5-9(13)14-2-15-10(5)17(16-8)4-1-3(12)6(18)7(4)19/h2-4,6-7,18-19H,1,12H2,(H2,13,14,15)/t3-,4+,6+,7-/m0/s1.
What are the key properties of (1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol?
(1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol has a molecular weight of 376.16 g/mol, XLogP of -0.99, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5R)-3-amino-5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2-diol is sourced from PubChem (CID 155527924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).