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

C11H13F3N2O5 — CID 71732376

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
SMILESCOc1cc(C(F)(F)F)nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C11H13F3N2O5/c1-20-6-2-5(11(12,13)14)15-10(16-6)9-8(19)7(18)4(3-17)21-9/h2,4,7-9,17-19H,3H2,1H3/t4-,7-,8-,9-/m1/s1
InChIKeyJSVWUAITKIYHCJ-XCBZGROMSA-N
MW310.23 g/mol
LogP-0.34
Rot. Bonds3

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

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol (PubChem CID 71732376) has the molecular formula C11H13F3N2O5 and a molecular weight of 310.23 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
PubChem CID71732376
Molecular FormulaC11H13F3N2O5
Molecular Weight310.23 g/mol
Exact Mass310.08
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
SMILESCOc1cc(C(F)(F)F)nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C11H13F3N2O5/c1-20-6-2-5(11(12,13)14)15-10(16-6)9-8(19)7(18)4(3-17)21-9/h2,4,7-9,17-19H,3H2,1H3/t4-,7-,8-,9-/m1/s1
InChIKeyJSVWUAITKIYHCJ-XCBZGROMSA-N
XLogP-0.34
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 168087407
[6-(1,4-Dioxaspiro[4.5]dec-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]methanol
CID 71257801
[5-[[4-Methoxy-6-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methanol
CID 167524381
[(2R,5S)-5-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methanol
CID 175781976
2-(beta-D-Ribofuranosyl)-4-methoxy-6-(difluoromethyl)pyrimidine
CID 71732377

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol (CID 71732376) is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol is COc1cc(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-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
The InChIKey is JSVWUAITKIYHCJ-XCBZGROMSA-N. The full InChI is InChI=1S/C11H13F3N2O5/c1-20-6-2-5(11(12,13)14)15-10(16-6)9-8(19)7(18)4(3-17)21-9/h2,4,7-9,17-19H,3H2,1H3/t4-,7-,8-,9-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol has a molecular weight of 310.23 g/mol, XLogP of -0.34, 3 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-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol is sourced from PubChem (CID 71732376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).