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

C11H13F3N2O4 — CID 71732466

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
SMILESCc1cc(C(F)(F)F)nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C11H13F3N2O4/c1-4-2-6(11(12,13)14)16-10(15-4)9-8(19)7(18)5(3-17)20-9/h2,5,7-9,17-19H,3H2,1H3/t5-,7-,8-,9-/m1/s1
InChIKeyBQXRQTKUSVCXIR-ZOQUXTDFSA-N
MW294.23 g/mol
LogP-0.04
Rot. Bonds2

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

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol (PubChem CID 71732466) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
PubChem CID71732466
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
SMILESCc1cc(C(F)(F)F)nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C11H13F3N2O4/c1-4-2-6(11(12,13)14)16-10(15-4)9-8(19)7(18)5(3-17)20-9/h2,5,7-9,17-19H,3H2,1H3/t5-,7-,8-,9-/m1/s1
InChIKeyBQXRQTKUSVCXIR-ZOQUXTDFSA-N
XLogP-0.04
TPSA95.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 168087354
2-(beta-D-Ribofuranosyl)-4-(pentafluoroethyl)pyrimidine
CID 71732375
2-(Hydroxymethyl)oxane-3,4-diol;4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 172239810
2-(beta-D-Ribofuranosyl)-4-(trifluoromethyl)pyrimidine
CID 71732374
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
CID 71732467
[(2S,4S)-4-methoxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 128975726
[(2S,4R)-4-methoxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 128978035

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol (CID 71732466) is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol is Cc1cc(C(F)(F)F)nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
The InChIKey is BQXRQTKUSVCXIR-ZOQUXTDFSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c1-4-2-6(11(12,13)14)16-10(15-4)9-8(19)7(18)5(3-17)20-9/h2,5,7-9,17-19H,3H2,1H3/t5-,7-,8-,9-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol has a molecular weight of 294.23 g/mol, XLogP of -0.04, 2 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-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol is sourced from PubChem (CID 71732466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).