2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate

C9H12N2O4 — CID 12739187

IUPAC2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate
SMILESCC(=O)OCCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-5-7(3-4-15-6(2)12)8(13)11-9(14)10-5/h3-4H2,1-2H3,(H2,10,11,13,14)
InChIKeyIVIFEIOLKXCSSC-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.52
Rot. Bonds3

About 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate (PubChem CID 12739187) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate
PubChem CID12739187
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate
SMILESCC(=O)OCCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-5-7(3-4-15-6(2)12)8(13)11-9(14)10-5/h3-4H2,1-2H3,(H2,10,11,13,14)
InChIKeyIVIFEIOLKXCSSC-UHFFFAOYSA-N
XLogP-0.52
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate (CID 12739187) is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate is CC(=O)OCCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate?
The InChIKey is IVIFEIOLKXCSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5-7(3-4-15-6(2)12)8(13)11-9(14)10-5/h3-4H2,1-2H3,(H2,10,11,13,14).
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate?
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate has a molecular weight of 212.20 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate is sourced from PubChem (CID 12739187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).