(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol

C20H17F3N2O4 — CID 71732465

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2)[C@H](O)[C@@H]1O
InChIInChI=1S/C20H17F3N2O4/c21-20(22,23)15-8-13(12-6-5-10-3-1-2-4-11(10)7-12)24-19(25-15)18-17(28)16(27)14(9-26)29-18/h1-8,14,16-18,26-28H,9H2/t14-,16-,17-,18-/m1/s1
InChIKeyLPMODJREKOKCRE-VDHUWJSZSA-N
MW406.36 g/mol
LogP2.47
Rot. Bonds3

About (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol (PubChem CID 71732465) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
PubChem CID71732465
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2)[C@H](O)[C@@H]1O
InChIInChI=1S/C20H17F3N2O4/c21-20(22,23)15-8-13(12-6-5-10-3-1-2-4-11(10)7-12)24-19(25-15)18-17(28)16(27)14(9-26)29-18/h1-8,14,16-18,26-28H,9H2/t14-,16-,17-,18-/m1/s1
InChIKeyLPMODJREKOKCRE-VDHUWJSZSA-N
XLogP2.47
TPSA95.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-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

(2S,3R,4S,5R)-2-[4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-phenylpyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 71732469
(2S,3R,4S,5R)-2-[4-(4-fluorophenyl)-6-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 71732470
2-(beta-D-Ribofuranosyl)-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 71732378
(2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 71732380

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol (CID 71732465) is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol is OC[C@H]1O[C@@H](c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
The InChIKey is LPMODJREKOKCRE-VDHUWJSZSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c21-20(22,23)15-8-13(12-6-5-10-3-1-2-4-11(10)7-12)24-19(25-15)18-17(28)16(27)14(9-26)29-18/h1-8,14,16-18,26-28H,9H2/t14-,16-,17-,18-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol has a molecular weight of 406.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol is sourced from PubChem (CID 71732465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).