ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate

C8H10N2O4 — CID 57443496

IUPACethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-2-14-6(11)3-5-4-9-8(13)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,13)
InChIKeyBTOLNVOZDUMQRF-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.83
Rot. Bonds3

About ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate

ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate (PubChem CID 57443496) 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-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate
PubChem CID57443496
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-2-14-6(11)3-5-4-9-8(13)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,13)
InChIKeyBTOLNVOZDUMQRF-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-5-yl)acetate?
The IUPAC name of ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate (CID 57443496) is ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate is CCOC(=O)Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The InChIKey is BTOLNVOZDUMQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-14-6(11)3-5-4-9-8(13)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,13).
What are the key properties of ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate?
ethyl 2-(2,4-dioxo-1H-pyrimidin-5-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-5-yl)acetate is sourced from PubChem (CID 57443496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).