(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol

C11H14F3N3O5 — CID 167221620

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2nccc(OC(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14F3N3O5/c12-11(13,14)22-7-1-2-15-10(17-7)16-5-4-21-6(3-18)9(20)8(5)19/h1-2,5-6,8-9,18-20H,3-4H2,(H,15,16,17)/t5-,6+,8+,9-/m0/s1
InChIKeyHREUISKNCNHIOU-LWIVVEGESA-N
MW325.24 g/mol
LogP-0.73
Rot. Bonds4

About (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol (PubChem CID 167221620) has the molecular formula C11H14F3N3O5 and a molecular weight of 325.24 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol
PubChem CID167221620
Molecular FormulaC11H14F3N3O5
Molecular Weight325.24 g/mol
Exact Mass325.09
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2nccc(OC(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14F3N3O5/c12-11(13,14)22-7-1-2-15-10(17-7)16-5-4-21-6(3-18)9(20)8(5)19/h1-2,5-6,8-9,18-20H,3-4H2,(H,15,16,17)/t5-,6+,8+,9-/m0/s1
InChIKeyHREUISKNCNHIOU-LWIVVEGESA-N
XLogP-0.73
TPSA116.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 165180122
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 167408642
(2R,3R,4R,5R)-2-(hydroxymethyl)-4-methyl-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxan-3-ol
CID 167221861
(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 171399942
5-[[6-Methoxy-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 175827982
(2R,3R,4R,5S)-5-[(4-chloro-6-methoxypyrimidin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 156818463
(2R,3R,4R,5S)-5-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 165180166
4-[[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-6-methoxypyrimidine-2-carbonitrile
CID 165180229
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol
CID 166975537
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-(pyrimidin-2-ylamino)oxane-3,4-diol
CID 167408592
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol
CID 167408612
4,4,4-Trifluoro-1-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]butan-2-ol
CID 137860717

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol (CID 167221620) is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol is OC[C@H]1OC[C@H](Nc2nccc(OC(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol?
The InChIKey is HREUISKNCNHIOU-LWIVVEGESA-N. The full InChI is InChI=1S/C11H14F3N3O5/c12-11(13,14)22-7-1-2-15-10(17-7)16-5-4-21-6(3-18)9(20)8(5)19/h1-2,5-6,8-9,18-20H,3-4H2,(H,15,16,17)/t5-,6+,8+,9-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol has a molecular weight of 325.24 g/mol, XLogP of -0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethoxy)pyrimidin-2-yl]amino]oxane-3,4-diol is sourced from PubChem (CID 167221620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).