[5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate

C18H19N3O6 — CID 3290093

IUPAC[5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1CC(n2ccc(NC(=O)c3ccccc3)nc2=O)OC1CO
InChIInChI=1S/C18H19N3O6/c1-11(23)26-13-9-16(27-14(13)10-22)21-8-7-15(20-18(21)25)19-17(24)12-5-3-2-4-6-12/h2-8,13-14,16,22H,9-10H2,1H3,(H,19,20,24,25)
InChIKeyYHQCWFGKRPKMDG-UHFFFAOYSA-N
MW373.37 g/mol
LogP0.71
Rot. Bonds5

About [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate

[5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate (PubChem CID 3290093) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
PubChem CID3290093
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name[5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1CC(n2ccc(NC(=O)c3ccccc3)nc2=O)OC1CO
InChIInChI=1S/C18H19N3O6/c1-11(23)26-13-9-16(27-14(13)10-22)21-8-7-15(20-18(21)25)19-17(24)12-5-3-2-4-6-12/h2-8,13-14,16,22H,9-10H2,1H3,(H,19,20,24,25)
InChIKeyYHQCWFGKRPKMDG-UHFFFAOYSA-N
XLogP0.71
TPSA119.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate?
The IUPAC name of [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate (CID 3290093) is [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate?
The canonical SMILES for [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate is CC(=O)OC1CC(n2ccc(NC(=O)c3ccccc3)nc2=O)OC1CO.
What is the InChIKey of [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate?
The InChIKey is YHQCWFGKRPKMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-11(23)26-13-9-16(27-14(13)10-22)21-8-7-15(20-18(21)25)19-17(24)12-5-3-2-4-6-12/h2-8,13-14,16,22H,9-10H2,1H3,(H,19,20,24,25).
What are the key properties of [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate?
[5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate has a molecular weight of 373.37 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 3290093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).