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

C10H11F3N2O4 — CID 71732374

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2nccc(C(F)(F)F)n2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H11F3N2O4/c11-10(12,13)5-1-2-14-9(15-5)8-7(18)6(17)4(3-16)19-8/h1-2,4,6-8,16-18H,3H2/t4-,6-,7-,8-/m1/s1
InChIKeyBNSODLJBMHEPOK-XVFCMESISA-N
MW280.20 g/mol
LogP-0.35
Rot. Bonds2

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

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol (PubChem CID 71732374) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
PubChem CID71732374
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2nccc(C(F)(F)F)n2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H11F3N2O4/c11-10(12,13)5-1-2-14-9(15-5)8-7(18)6(17)4(3-16)19-8/h1-2,4,6-8,16-18H,3H2/t4-,6-,7-,8-/m1/s1
InChIKeyBNSODLJBMHEPOK-XVFCMESISA-N
XLogP-0.35
TPSA95.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-Fluoroarabinosyl pyrimidine
CID 22847474
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 165180153
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 165180234
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 167408442
(2R,3R,4R,5S)-5-[[4-(difluoromethyl)pyrimidin-2-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 168087400
(2R,3R,4R,5S)-5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 168087405
Fluoroarabinosyl pyrimidine
CID 129673579
Arabinofuranosylpyrimidine
CID 22847475
Ribosylpyrimidine
CID 54505868
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol
CID 56608672
Desoxyribofuranosyl pyrimidine
CID 68556894
2-(beta-D-Ribofuranosyl)-4-(pentafluoroethyl)pyrimidine
CID 71732375

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol (CID 71732374) is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol is OC[C@H]1O[C@@H](c2nccc(C(F)(F)F)n2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
The InChIKey is BNSODLJBMHEPOK-XVFCMESISA-N. The full InChI is InChI=1S/C10H11F3N2O4/c11-10(12,13)5-1-2-14-9(15-5)8-7(18)6(17)4(3-16)19-8/h1-2,4,6-8,16-18H,3H2/t4-,6-,7-,8-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol has a molecular weight of 280.20 g/mol, XLogP of -0.35, 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-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol is sourced from PubChem (CID 71732374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).