2-(2,4-dioxopyrimidin-1-yl)ethyl acetate

C8H10N2O4 — CID 2058214

IUPAC2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-6(11)14-5-4-10-3-2-7(12)9-8(10)13/h2-3H,4-5H2,1H3,(H,9,12,13)
InChIKeySNXQZJMMWGGAEQ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.90
Rot. Bonds3

About 2-(2,4-dioxopyrimidin-1-yl)ethyl acetate

2-(2,4-dioxopyrimidin-1-yl)ethyl acetate (PubChem CID 2058214) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
PubChem CID2058214
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-6(11)14-5-4-10-3-2-7(12)9-8(10)13/h2-3H,4-5H2,1H3,(H,9,12,13)
InChIKeySNXQZJMMWGGAEQ-UHFFFAOYSA-N
XLogP-0.90
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)ethyl benzoate
CID 151246005
[(2S)-2-acetyloxy-4-(2,4-dioxopyrimidin-1-yl)butyl] acetate
CID 70894812
6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate
CID 170124459
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
8-(2,4-dioxopyrimidin-1-yl)octyl propanoate
CID 169034530
1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione
CID 62023562
[1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate
CID 68502284
2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53462120
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
1-butylpyrimidine-2,4-dione;methanol;palladium
CID 178051996
4-(2,4-dioxopyrimidin-1-yl)butanoate
CID 6954146

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)ethyl acetate?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)ethyl acetate (CID 2058214) is 2-(2,4-dioxopyrimidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)ethyl acetate is CC(=O)OCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)ethyl acetate?
The InChIKey is SNXQZJMMWGGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-6(11)14-5-4-10-3-2-7(12)9-8(10)13/h2-3H,4-5H2,1H3,(H,9,12,13).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)ethyl acetate?
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate has a molecular weight of 198.18 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)ethyl acetate is sourced from PubChem (CID 2058214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).