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

C18H19F3N2O4 — CID 71732380

IUPAC(2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCc1ccccc1-c1cc(C(F)(F)F)nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C18H19F3N2O4/c1-2-9-5-3-4-6-10(9)11-7-13(18(19,20)21)23-17(22-11)16-15(26)14(25)12(8-24)27-16/h3-7,12,14-16,24-26H,2,8H2,1H3/t12-,14-,15-,16-/m1/s1
InChIKeyFOJLDOZNHSTYJV-DTZQCDIJSA-N
MW384.35 g/mol
LogP1.88
Rot. Bonds4

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

(2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 71732380) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID71732380
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name(2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCc1ccccc1-c1cc(C(F)(F)F)nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C18H19F3N2O4/c1-2-9-5-3-4-6-10(9)11-7-13(18(19,20)21)23-17(22-11)16-15(26)14(25)12(8-24)27-16/h3-7,12,14-16,24-26H,2,8H2,1H3/t12-,14-,15-,16-/m1/s1
InChIKeyFOJLDOZNHSTYJV-DTZQCDIJSA-N
XLogP1.88
TPSA95.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxolane-3,4-diol
CID 71732465
1-(2-Methoxy-6-methylpyrimidin-4-yl)-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 132374949
(3R,4S,5R)-2-[4-[amino(phenyl)methyl]pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67841030
(3R,4S,5R)-2-(5-amino-4-benzylpyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 141809102
(2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol
CID 10565129
(2R,3S,5R)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol
CID 15475587
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)oxolane-3,4-diol
CID 71732298
4-{Ethyl[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino}tetrahydrofuran-3-ol
CID 91843104
(3S,4R)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol
CID 133546666

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 71732380) is (2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol is CCc1ccccc1-c1cc(C(F)(F)F)nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of (2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is FOJLDOZNHSTYJV-DTZQCDIJSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-2-9-5-3-4-6-10(9)11-7-13(18(19,20)21)23-17(22-11)16-15(26)14(25)12(8-24)27-16/h3-7,12,14-16,24-26H,2,8H2,1H3/t12-,14-,15-,16-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 384.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-[4-(2-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 71732380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).