[6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid

C13H16F3N3O7 — CID 175351992

IUPAC[6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid
SMILESCC(=O)OC1CNCC(n2cc(C)c(=O)[nH]c2=O)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H15N3O5.C2HF3O2/c1-6-5-14(11(17)13-10(6)16)8-3-12-4-9(19-8)18-7(2)15;3-2(4,5)1(6)7/h5,8-9,12H,3-4H2,1-2H3,(H,13,16,17);(H,6,7)
InChIKeyHDTUEVXROZRBHD-UHFFFAOYSA-N
MW383.28 g/mol
LogP-0.51
Rot. Bonds2

About [6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid

[6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid (PubChem CID 175351992) has the molecular formula C13H16F3N3O7 and a molecular weight of 383.28 g/mol. Its IUPAC name is [6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid
PubChem CID175351992
Molecular FormulaC13H16F3N3O7
Molecular Weight383.28 g/mol
Exact Mass383.09
IUPAC Name[6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid
SMILESCC(=O)OC1CNCC(n2cc(C)c(=O)[nH]c2=O)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H15N3O5.C2HF3O2/c1-6-5-14(11(17)13-10(6)16)8-3-12-4-9(19-8)18-7(2)15;3-2(4,5)1(6)7/h5,8-9,12H,3-4H2,1-2H3,(H,13,16,17);(H,6,7)
InChIKeyHDTUEVXROZRBHD-UHFFFAOYSA-N
XLogP-0.51
TPSA139.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid?
The IUPAC name of [6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid (CID 175351992) is [6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for [6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid is CC(=O)OC1CNCC(n2cc(C)c(=O)[nH]c2=O)O1.O=C(O)C(F)(F)F.
What is the InChIKey of [6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid?
The InChIKey is HDTUEVXROZRBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5.C2HF3O2/c1-6-5-14(11(17)13-10(6)16)8-3-12-4-9(19-8)18-7(2)15;3-2(4,5)1(6)7/h5,8-9,12H,3-4H2,1-2H3,(H,13,16,17);(H,6,7).
What are the key properties of [6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid?
[6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid has a molecular weight of 383.28 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl] acetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175351992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).