2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid

C7H8N2O4 — CID 16774570

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESCn1c(=O)ccn(CC(=O)O)c1=O
InChIInChI=1S/C7H8N2O4/c1-8-5(10)2-3-9(7(8)13)4-6(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyJALZAYSDFUFSIM-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.37
Rot. Bonds2

About 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid

2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid (PubChem CID 16774570) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
PubChem CID16774570
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESCn1c(=O)ccn(CC(=O)O)c1=O
InChIInChI=1S/C7H8N2O4/c1-8-5(10)2-3-9(7(8)13)4-6(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyJALZAYSDFUFSIM-UHFFFAOYSA-N
XLogP-1.37
TPSA81.30 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 ≤ 5-1.37
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
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetic acid
CID 2512745
Fluorouracil-1-acetic acid
CID 141092594
methyl (2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 15128034
Fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 174539887
1,3-Di-(7-carboxypropyl)uracil
CID 129778336
1-(2-Hydroxyethyl)uracil acetate
CID 146679883
2-[(5-Fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid
CID 53328705
2-(3-Ethyl-2,6-dioxopyrimidin-1-yl)-2-fluoroacetic acid
CID 81296390
2-(2,6-Dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetic acid
CID 81296597
2-(2,4-Dioxopyrimidin-1-yl)-2-fluoroacetic acid
CID 81298123
2-Fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid
CID 81298642

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid (CID 16774570) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid is Cn1c(=O)ccn(CC(=O)O)c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is JALZAYSDFUFSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-8-5(10)2-3-9(7(8)13)4-6(11)12/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 184.15 g/mol, XLogP of -1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 16774570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).