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

C8H10N2O4 — CID 3757668

IUPACmethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-5-3-10(4-6(11)14-2)8(13)9-7(5)12/h3H,4H2,1-2H3,(H,9,12,13)
InChIKeyFACYKZIDLVIVDV-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.98
Rot. Bonds2

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

methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 3757668) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID3757668
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namemethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-5-3-10(4-6(11)14-2)8(13)9-7(5)12/h3H,4H2,1-2H3,(H,9,12,13)
InChIKeyFACYKZIDLVIVDV-UHFFFAOYSA-N
XLogP-0.98
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881
methyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate
CID 63799383
tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane
CID 144939598
5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734699
5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione
CID 60734768
N-ethyl-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60759943
[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium
CID 7289782
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 35177235
(2-sulfanylidene-1-pyridinyl) 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 15476695
N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60734726
5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734826
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate (CID 3757668) is methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is COC(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is FACYKZIDLVIVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5-3-10(4-6(11)14-2)8(13)9-7(5)12/h3H,4H2,1-2H3,(H,9,12,13).
What are the key properties of methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 198.18 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 3757668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).