(5-methoxy-2,6-dioxopyrimidin-5-yl) acetate

C7H8N2O5 — CID 175512116

IUPAC(5-methoxy-2,6-dioxopyrimidin-5-yl) acetate
SMILESCOC1(OC(C)=O)C=NC(=O)NC1=O
InChIInChI=1S/C7H8N2O5/c1-4(10)14-7(13-2)3-8-6(12)9-5(7)11/h3H,1-2H3,(H,9,11,12)
InChIKeyKIVDHKORNNPQNF-UHFFFAOYSA-N
MW200.15 g/mol
LogP-0.79
Rot. Bonds2

About (5-methoxy-2,6-dioxopyrimidin-5-yl) acetate

(5-methoxy-2,6-dioxopyrimidin-5-yl) acetate (PubChem CID 175512116) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is (5-methoxy-2,6-dioxopyrimidin-5-yl) acetate.

Molecular Properties

Compound Name(5-methoxy-2,6-dioxopyrimidin-5-yl) acetate
PubChem CID175512116
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Name(5-methoxy-2,6-dioxopyrimidin-5-yl) acetate
SMILESCOC1(OC(C)=O)C=NC(=O)NC1=O
InChIInChI=1S/C7H8N2O5/c1-4(10)14-7(13-2)3-8-6(12)9-5(7)11/h3H,1-2H3,(H,9,11,12)
InChIKeyKIVDHKORNNPQNF-UHFFFAOYSA-N
XLogP-0.79
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,6-dioxopyrimidin-5-yl) acetate?
The IUPAC name of (5-methoxy-2,6-dioxopyrimidin-5-yl) acetate (CID 175512116) is (5-methoxy-2,6-dioxopyrimidin-5-yl) acetate.
What is the SMILES notation for (5-methoxy-2,6-dioxopyrimidin-5-yl) acetate?
The canonical SMILES for (5-methoxy-2,6-dioxopyrimidin-5-yl) acetate is COC1(OC(C)=O)C=NC(=O)NC1=O.
What is the InChIKey of (5-methoxy-2,6-dioxopyrimidin-5-yl) acetate?
The InChIKey is KIVDHKORNNPQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c1-4(10)14-7(13-2)3-8-6(12)9-5(7)11/h3H,1-2H3,(H,9,11,12).
What are the key properties of (5-methoxy-2,6-dioxopyrimidin-5-yl) acetate?
(5-methoxy-2,6-dioxopyrimidin-5-yl) acetate has a molecular weight of 200.15 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,6-dioxopyrimidin-5-yl) acetate is sourced from PubChem (CID 175512116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).