(2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one

C13H13N3O3 — CID 101234188

IUPAC(2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one
SMILESNc1ncc2c([C@H]3CC(=O)[C@@H](CO)O3)cccc2n1
InChIInChI=1S/C13H13N3O3/c14-13-15-5-8-7(2-1-3-9(8)16-13)11-4-10(18)12(6-17)19-11/h1-3,5,11-12,17H,4,6H2,(H2,14,15,16)/t11-,12-/m1/s1
InChIKeyHQRUXIRBBYQORZ-VXGBXAGGSA-N
MW259.27 g/mol
LogP0.60
Rot. Bonds2

About (2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one

(2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one (PubChem CID 101234188) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is (2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one.

Molecular Properties

Compound Name(2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one
PubChem CID101234188
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name(2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one
SMILESNc1ncc2c([C@H]3CC(=O)[C@@H](CO)O3)cccc2n1
InChIInChI=1S/C13H13N3O3/c14-13-15-5-8-7(2-1-3-9(8)16-13)11-4-10(18)12(6-17)19-11/h1-3,5,11-12,17H,4,6H2,(H2,14,15,16)/t11-,12-/m1/s1
InChIKeyHQRUXIRBBYQORZ-VXGBXAGGSA-N
XLogP0.60
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one 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,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one?
The IUPAC name of (2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one (CID 101234188) is (2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one.
What is the SMILES notation for (2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one?
The canonical SMILES for (2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one is Nc1ncc2c([C@H]3CC(=O)[C@@H](CO)O3)cccc2n1.
What is the InChIKey of (2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one?
The InChIKey is HQRUXIRBBYQORZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-13-15-5-8-7(2-1-3-9(8)16-13)11-4-10(18)12(6-17)19-11/h1-3,5,11-12,17H,4,6H2,(H2,14,15,16)/t11-,12-/m1/s1.
What are the key properties of (2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one?
(2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one has a molecular weight of 259.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(2-aminoquinazolin-5-yl)-2-(hydroxymethyl)oxolan-3-one is sourced from PubChem (CID 101234188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).