2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid

C7H8N2O4 — CID 74566727

IUPAC2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid
SMILESCN1C(=O)N=CC(CC(=O)O)C1=O
InChIInChI=1S/C7H8N2O4/c1-9-6(12)4(2-5(10)11)3-8-7(9)13/h3-4H,2H2,1H3,(H,10,11)
InChIKeyVJTLVFAAMHDMGK-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.26
Rot. Bonds2

About 2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid

2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid (PubChem CID 74566727) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid
PubChem CID74566727
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid
SMILESCN1C(=O)N=CC(CC(=O)O)C1=O
InChIInChI=1S/C7H8N2O4/c1-9-6(12)4(2-5(10)11)3-8-7(9)13/h3-4H,2H2,1H3,(H,10,11)
InChIKeyVJTLVFAAMHDMGK-UHFFFAOYSA-N
XLogP-0.26
TPSA87.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid
CID 83873974
4-[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]butanoic acid
CID 7001266

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid (CID 74566727) is 2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid is CN1C(=O)N=CC(CC(=O)O)C1=O.
What is the InChIKey of 2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid?
The InChIKey is VJTLVFAAMHDMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-9-6(12)4(2-5(10)11)3-8-7(9)13/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid?
2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid has a molecular weight of 184.15 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 74566727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).