(5-methyl-2,4-dioxopyrimidin-1-yl) acetate

C7H8N2O4 — CID 56988834

IUPAC(5-methyl-2,4-dioxopyrimidin-1-yl) acetate
SMILESCC(=O)On1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-4-3-9(13-5(2)10)7(12)8-6(4)11/h3H,1-2H3,(H,8,11,12)
InChIKeyUTFBRWWTUHIYSX-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.18
Rot. Bonds1

About (5-methyl-2,4-dioxopyrimidin-1-yl) acetate

(5-methyl-2,4-dioxopyrimidin-1-yl) acetate (PubChem CID 56988834) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is (5-methyl-2,4-dioxopyrimidin-1-yl) acetate.

Molecular Properties

Compound Name(5-methyl-2,4-dioxopyrimidin-1-yl) acetate
PubChem CID56988834
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name(5-methyl-2,4-dioxopyrimidin-1-yl) acetate
SMILESCC(=O)On1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-4-3-9(13-5(2)10)7(12)8-6(4)11/h3H,1-2H3,(H,8,11,12)
InChIKeyUTFBRWWTUHIYSX-UHFFFAOYSA-N
XLogP-1.18
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,4-dioxopyrimidin-1-yl) acetate?
The IUPAC name of (5-methyl-2,4-dioxopyrimidin-1-yl) acetate (CID 56988834) is (5-methyl-2,4-dioxopyrimidin-1-yl) acetate.
What is the SMILES notation for (5-methyl-2,4-dioxopyrimidin-1-yl) acetate?
The canonical SMILES for (5-methyl-2,4-dioxopyrimidin-1-yl) acetate is CC(=O)On1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of (5-methyl-2,4-dioxopyrimidin-1-yl) acetate?
The InChIKey is UTFBRWWTUHIYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-4-3-9(13-5(2)10)7(12)8-6(4)11/h3H,1-2H3,(H,8,11,12).
What are the key properties of (5-methyl-2,4-dioxopyrimidin-1-yl) acetate?
(5-methyl-2,4-dioxopyrimidin-1-yl) acetate has a molecular weight of 184.15 g/mol, XLogP of -1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,4-dioxopyrimidin-1-yl) acetate is sourced from PubChem (CID 56988834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).