ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate

C8H10N2O4 — CID 2049745

IUPACethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-2-14-7(12)4-5-3-6(11)10-8(13)9-5/h3H,2,4H2,1H3,(H2,9,10,11,13)
InChIKeyQABDIFWQPJTNCX-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.83
Rot. Bonds3

About ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate

ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate (PubChem CID 2049745) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
PubChem CID2049745
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-2-14-7(12)4-5-3-6(11)10-8(13)9-5/h3H,2,4H2,1H3,(H2,9,10,11,13)
InChIKeyQABDIFWQPJTNCX-UHFFFAOYSA-N
XLogP-0.83
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The IUPAC name of ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate (CID 2049745) is ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The canonical SMILES for ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate is CCOC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The InChIKey is QABDIFWQPJTNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-14-7(12)4-5-3-6(11)10-8(13)9-5/h3H,2,4H2,1H3,(H2,9,10,11,13).
What are the key properties of ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate has a molecular weight of 198.18 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate is sourced from PubChem (CID 2049745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).