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

C15H20F3N3O3 — CID 170423201

IUPAC(2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Nc2nccc(C(F)(F)F)n2)CO[C@@H]1C1CCCC1
InChIInChI=1S/C15H20F3N3O3/c16-15(17,18)10-5-6-19-14(21-10)20-9-7-24-13(12(23)11(9)22)8-3-1-2-4-8/h5-6,8-9,11-13,22-23H,1-4,7H2,(H,19,20,21)/t9-,11+,12+,13+/m0/s1
InChIKeyDVHXSWOVVLDYKV-WKSBVSIWSA-N
MW347.34 g/mol
LogP1.59
Rot. Bonds3

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

(2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol (PubChem CID 170423201) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
PubChem CID170423201
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name(2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Nc2nccc(C(F)(F)F)n2)CO[C@@H]1C1CCCC1
InChIInChI=1S/C15H20F3N3O3/c16-15(17,18)10-5-6-19-14(21-10)20-9-7-24-13(12(23)11(9)22)8-3-1-2-4-8/h5-6,8-9,11-13,22-23H,1-4,7H2,(H,19,20,21)/t9-,11+,12+,13+/m0/s1
InChIKeyDVHXSWOVVLDYKV-WKSBVSIWSA-N
XLogP1.59
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol (CID 170423201) is (2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol is O[C@@H]1[C@H](O)[C@@H](Nc2nccc(C(F)(F)F)n2)CO[C@@H]1C1CCCC1.
What is the InChIKey of (2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol?
The InChIKey is DVHXSWOVVLDYKV-WKSBVSIWSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c16-15(17,18)10-5-6-19-14(21-10)20-9-7-24-13(12(23)11(9)22)8-3-1-2-4-8/h5-6,8-9,11-13,22-23H,1-4,7H2,(H,19,20,21)/t9-,11+,12+,13+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol has a molecular weight of 347.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol is sourced from PubChem (CID 170423201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).