(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol

C20H19N3O4 — CID 71732298

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2nc(-c3ccccc3)cc(-c3cccnc3)n2)[C@H](O)[C@@H]1O
InChIInChI=1S/C20H19N3O4/c24-11-16-17(25)18(26)19(27-16)20-22-14(12-5-2-1-3-6-12)9-15(23-20)13-7-4-8-21-10-13/h1-10,16-19,24-26H,11H2/t16-,17-,18-,19-/m1/s1
InChIKeyZDHYZADGDOAILT-NCXUSEDFSA-N
MW365.39 g/mol
LogP1.36
Rot. Bonds4

About (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol (PubChem CID 71732298) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol
PubChem CID71732298
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2nc(-c3ccccc3)cc(-c3cccnc3)n2)[C@H](O)[C@@H]1O
InChIInChI=1S/C20H19N3O4/c24-11-16-17(25)18(26)19(27-16)20-22-14(12-5-2-1-3-6-12)9-15(23-20)13-7-4-8-21-10-13/h1-10,16-19,24-26H,11H2/t16-,17-,18-,19-/m1/s1
InChIKeyZDHYZADGDOAILT-NCXUSEDFSA-N
XLogP1.36
TPSA108.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-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

(1s)-1,5-Anhydro-1-(5-Phenyl-1h-Imidazol-2-Yl)-D-Glucitol
CID 71522432
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 44194498
(2R,3R,4S,5R)-2-(5-fluoro-4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44194502
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 44626659
(2R,3R,4S,5R)-2-[4-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44626661
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 44626761
5-(2-Pyridinyl)-7-|A-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155561498
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[7-[4-(4-phenylphenyl)piperazin-1-yl]imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol
CID 155519526
(2R,3R,4S,5R)-2-(4-benzylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44194402
(2R,3R,4S,5R)-2-[4-amino-5-(5-fluoro-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 155516821
5-(2-Quinolinyl)-7-|A-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155522374
US11267811, Example 42
CID 156376608

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol (CID 71732298) is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol is OC[C@H]1O[C@@H](c2nc(-c3ccccc3)cc(-c3cccnc3)n2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol?
The InChIKey is ZDHYZADGDOAILT-NCXUSEDFSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-11-16-17(25)18(26)19(27-16)20-22-14(12-5-2-1-3-6-12)9-15(23-20)13-7-4-8-21-10-13/h1-10,16-19,24-26H,11H2/t16-,17-,18-,19-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol has a molecular weight of 365.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol is sourced from PubChem (CID 71732298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).