(2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

C16H15F4N3O4 — CID 171557669

IUPAC(2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@@H](c2ncncc2F)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H15F4N3O4/c1-7-12(24)13(25)15(14(26-7)11-8(17)5-21-6-22-11)27-10-4-2-3-9(23-10)16(18,19)20/h2-7,12-15,24-25H,1H3/t7-,12+,13+,14+,15-/m1/s1
InChIKeyJWPUWDVZJISYJA-AMQDTVPESA-N
MW389.31 g/mol
LogP1.66
Rot. Bonds3

About (2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

(2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171557669) has the molecular formula C16H15F4N3O4 and a molecular weight of 389.31 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171557669
Molecular FormulaC16H15F4N3O4
Molecular Weight389.31 g/mol
Exact Mass389.10
IUPAC Name(2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@@H](c2ncncc2F)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H15F4N3O4/c1-7-12(24)13(25)15(14(26-7)11-8(17)5-21-6-22-11)27-10-4-2-3-9(23-10)16(18,19)20/h2-7,12-15,24-25H,1H3/t7-,12+,13+,14+,15-/m1/s1
InChIKeyJWPUWDVZJISYJA-AMQDTVPESA-N
XLogP1.66
TPSA97.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohex-3-en-1-ol
CID 71086089
2,2,2-trifluoro-1-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)ethanol (R or S)
CID 76283269
2,2-difluoro-1-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)ethanol (R or S)
CID 76283764
2-Pyridin-2-yl-4-(2,2,2-trifluoroethoxy)-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine
CID 127038403
4-[(3-Methoxyoxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine
CID 127039385
4-[(3-Fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine
CID 127041988
4-Ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine
CID 127042383
2-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yloxy)propane-1,3-diol
CID 76280989
4-[(3-Fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine
CID 127042382
1-(4-Fluorophenoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
CID 2795665
(3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97419581
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decane
CID 97419625

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171557669) is (2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is C[C@H]1O[C@@H](c2ncncc2F)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is JWPUWDVZJISYJA-AMQDTVPESA-N. The full InChI is InChI=1S/C16H15F4N3O4/c1-7-12(24)13(25)15(14(26-7)11-8(17)5-21-6-22-11)27-10-4-2-3-9(23-10)16(18,19)20/h2-7,12-15,24-25H,1H3/t7-,12+,13+,14+,15-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 389.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-6-(5-fluoropyrimidin-4-yl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171557669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).