1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol

C11H15F3N2O5 — CID 178033550

IUPAC1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol
SMILESCO.O=c1[nH]c(=O)n([C@H]2CC[C@@H](CO)O2)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O4.CH4O/c11-10(12,13)6-3-15(9(18)14-8(6)17)7-2-1-5(4-16)19-7;1-2/h3,5,7,16H,1-2,4H2,(H,14,17,18);2H,1H3/t5-,7+;/m0./s1
InChIKeyNCGDYBLXEQEHIS-VOLNJMMDSA-N
MW312.24 g/mol
LogP-0.17
Rot. Bonds2

About 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol

1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol (PubChem CID 178033550) has the molecular formula C11H15F3N2O5 and a molecular weight of 312.24 g/mol. Its IUPAC name is 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol.

Molecular Properties

Compound Name1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol
PubChem CID178033550
Molecular FormulaC11H15F3N2O5
Molecular Weight312.24 g/mol
Exact Mass312.09
IUPAC Name1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol
SMILESCO.O=c1[nH]c(=O)n([C@H]2CC[C@@H](CO)O2)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O4.CH4O/c11-10(12,13)6-3-15(9(18)14-8(6)17)7-2-1-5(4-16)19-7;1-2/h3,5,7,16H,1-2,4H2,(H,14,17,18);2H,1H3/t5-,7+;/m0./s1
InChIKeyNCGDYBLXEQEHIS-VOLNJMMDSA-N
XLogP-0.17
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 169201537
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
CID 67930071
1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 138455897
5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70925341
tert-butyl [[5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxycarbonyloxymethoxy]phosphanyl]oxymethyl carbonate
CID 171568460
1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 174147547
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate
CID 169201569
1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70261386
ethane;1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;propane-2,2-diol
CID 163227427

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol?
The IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol (CID 178033550) is 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol.
What is the SMILES notation for 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol?
The canonical SMILES for 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol is CO.O=c1[nH]c(=O)n([C@H]2CC[C@@H](CO)O2)cc1C(F)(F)F.
What is the InChIKey of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol?
The InChIKey is NCGDYBLXEQEHIS-VOLNJMMDSA-N. The full InChI is InChI=1S/C10H11F3N2O4.CH4O/c11-10(12,13)6-3-15(9(18)14-8(6)17)7-2-1-5(4-16)19-7;1-2/h3,5,7,16H,1-2,4H2,(H,14,17,18);2H,1H3/t5-,7+;/m0./s1.
What are the key properties of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol?
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol has a molecular weight of 312.24 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol is sourced from PubChem (CID 178033550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).