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

C9H12N2O4 — CID 740354

IUPACethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-3-15-7(12)4-6-5(2)10-9(14)11-8(6)13/h3-4H2,1-2H3,(H2,10,11,13,14)
InChIKeyCHMASNSWTSSDCU-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.52
Rot. Bonds3

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

ethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate (PubChem CID 740354) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
PubChem CID740354
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Nameethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-3-15-7(12)4-6-5(2)10-9(14)11-8(6)13/h3-4H2,1-2H3,(H2,10,11,13,14)
InChIKeyCHMASNSWTSSDCU-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate (CID 740354) is ethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate is CCOC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
The InChIKey is CHMASNSWTSSDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-15-7(12)4-6-5(2)10-9(14)11-8(6)13/h3-4H2,1-2H3,(H2,10,11,13,14).
What are the key properties of ethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate?
ethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)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 ethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 740354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).