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

C9H12N2O4 — CID 565853

IUPACethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-3-15-7(12)5-11-4-6(2)8(13)10-9(11)14/h4H,3,5H2,1-2H3,(H,10,13,14)
InChIKeyPZOFYXHUJOBREJ-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.59
Rot. Bonds3

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

ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 565853) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID565853
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Nameethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-3-15-7(12)5-11-4-6(2)8(13)10-9(11)14/h4H,3,5H2,1-2H3,(H,10,13,14)
InChIKeyPZOFYXHUJOBREJ-UHFFFAOYSA-N
XLogP-0.59
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-Diethoxyethyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 712442
1H-Pyrimidine-2,4-dione, 1-(2,2-dimethoxyethyl)-5-methyl-
CID 712760
Ethyl 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 2822103
2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 853753
Ethyl 2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate
CID 745125
1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, pentyl ester
CID 3075295
ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 14118332
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
Methyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetate
CID 12370692
Ethyl 2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetate
CID 745329
Ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 11775861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate (CID 565853) is ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is CCOC(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is PZOFYXHUJOBREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-15-7(12)5-11-4-6(2)8(13)10-9(11)14/h4H,3,5H2,1-2H3,(H,10,13,14).
What are the key properties of ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 212.20 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 565853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).