[(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol

C11H12N4O3 — CID 5274099

IUPAC[(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
SMILESNc1ncnc2c([C@@H]3O[C@H](CO)C4OC43)c[nH]c12
InChIInChI=1S/C11H12N4O3/c12-11-7-6(14-3-15-11)4(1-13-7)8-10-9(18-10)5(2-16)17-8/h1,3,5,8-10,13,16H,2H2,(H2,12,14,15)/t5-,8+,9?,10?/m1/s1
InChIKeyNGFUYNYPVKTEJR-IBURAEQXSA-N
MW248.24 g/mol
LogP-0.26
Rot. Bonds2

About [(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol

[(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol (PubChem CID 5274099) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is [(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
PubChem CID5274099
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name[(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
SMILESNc1ncnc2c([C@@H]3O[C@H](CO)C4OC43)c[nH]c12
InChIInChI=1S/C11H12N4O3/c12-11-7-6(14-3-15-11)4(1-13-7)8-10-9(18-10)5(2-16)17-8/h1,3,5,8-10,13,16H,2H2,(H2,12,14,15)/t5-,8+,9?,10?/m1/s1
InChIKeyNGFUYNYPVKTEJR-IBURAEQXSA-N
XLogP-0.26
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol?
The IUPAC name of [(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol (CID 5274099) is [(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol?
The canonical SMILES for [(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol is Nc1ncnc2c([C@@H]3O[C@H](CO)C4OC43)c[nH]c12.
What is the InChIKey of [(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol?
The InChIKey is NGFUYNYPVKTEJR-IBURAEQXSA-N. The full InChI is InChI=1S/C11H12N4O3/c12-11-7-6(14-3-15-11)4(1-13-7)8-10-9(18-10)5(2-16)17-8/h1,3,5,8-10,13,16H,2H2,(H2,12,14,15)/t5-,8+,9?,10?/m1/s1.
What are the key properties of [(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol?
[(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol has a molecular weight of 248.24 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol is sourced from PubChem (CID 5274099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).