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

C7H8N2O4 — CID 15128034

IUPACmethyl 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-13-6(11)4-9-3-2-5(10)8-7(9)12/h2-3H,4H2,1H3,(H,8,10,12)
InChIKeyOGHZJZXUVUBFNI-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.29
Rot. Bonds2

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

methyl 2-(2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 15128034) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl 2-(2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dioxopyrimidin-1-yl)acetate
PubChem CID15128034
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Namemethyl 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-13-6(11)4-9-3-2-5(10)8-7(9)12/h2-3H,4H2,1H3,(H,8,10,12)
InChIKeyOGHZJZXUVUBFNI-UHFFFAOYSA-N
XLogP-1.29
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 255733
Ethyl 2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
1(2H)-pyrimidineacetic acid, 5-fluoro-3,4-dihydro-2,4-dioxo-, methyl ester
CID 637881
ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate
CID 745125
2-(3-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 16774570
methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
CID 7536486
Zinc02494940
CID 2058214
tert-Butyl uracil-1-ylacetate
CID 2802880
1-(methoxymethyl)pyrimidine-2,4(1H,3H)-dione
CID 642665
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
Methyl 5-iodouracil-1-acetate
CID 15851016
Methyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetate
CID 12370692

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(2,4-dioxopyrimidin-1-yl)acetate (CID 15128034) is methyl 2-(2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(2,4-dioxopyrimidin-1-yl)acetate is COC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of methyl 2-(2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is OGHZJZXUVUBFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-13-6(11)4-9-3-2-5(10)8-7(9)12/h2-3H,4H2,1H3,(H,8,10,12).
What are the key properties of methyl 2-(2,4-dioxopyrimidin-1-yl)acetate?
methyl 2-(2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 184.15 g/mol, XLogP of -1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 15128034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).