1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione

C10H11F3N2O4 — CID 138455897

IUPAC1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC1OC(n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@H]1O
InChIInChI=1S/C10H11F3N2O4/c1-4-6(16)2-7(19-4)15-3-5(10(11,12)13)8(17)14-9(15)18/h3-4,6-7,16H,2H2,1H3,(H,14,17,18)/t4?,6-,7?/m1/s1
InChIKeyDGWQICKHPKQGAI-GPDKUZCWSA-N
MW280.20 g/mol
LogP0.22
Rot. Bonds1

About 1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione

1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 138455897) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID138455897
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC1OC(n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@H]1O
InChIInChI=1S/C10H11F3N2O4/c1-4-6(16)2-7(19-4)15-3-5(10(11,12)13)8(17)14-9(15)18/h3-4,6-7,16H,2H2,1H3,(H,14,17,18)/t4?,6-,7?/m1/s1
InChIKeyDGWQICKHPKQGAI-GPDKUZCWSA-N
XLogP0.22
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 22895138
1-[(2R,4S)-4-hydroxy-5-methylideneoxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 67785380
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol
CID 178033550
[[(2R,3R,5R)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 90231073
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
1-[(2S,4R,5R,6S)-4-azido-5-hydroxy-6-methyloxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 21145804
(4-chlorophenyl) 2-[(2S,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]-2-hydroxyacetate
CID 138734324
1-[(2R,4S,5R)-4-methoxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 142489157
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidine-2,4-dione
CID 575916
1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 174147547
1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione
CID 159018911

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 138455897) is 1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione is CC1OC(n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@H]1O.
What is the InChIKey of 1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is DGWQICKHPKQGAI-GPDKUZCWSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c1-4-6(16)2-7(19-4)15-3-5(10(11,12)13)8(17)14-9(15)18/h3-4,6-7,16H,2H2,1H3,(H,14,17,18)/t4?,6-,7?/m1/s1.
What are the key properties of 1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione?
1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 280.20 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 138455897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).