2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate

C10H14N2O5 — CID 57401191

IUPAC2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate
SMILESCOCn1c(=O)[nH]cc(CCOC(C)=O)c1=O
InChIInChI=1S/C10H14N2O5/c1-7(13)17-4-3-8-5-11-10(15)12(6-16-2)9(8)14/h5H,3-4,6H2,1-2H3,(H,11,15)
InChIKeyCPCPSDOCZUXPNW-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.75
Rot. Bonds5

About 2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate

2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate (PubChem CID 57401191) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate
PubChem CID57401191
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate
SMILESCOCn1c(=O)[nH]cc(CCOC(C)=O)c1=O
InChIInChI=1S/C10H14N2O5/c1-7(13)17-4-3-8-5-11-10(15)12(6-16-2)9(8)14/h5H,3-4,6H2,1-2H3,(H,11,15)
InChIKeyCPCPSDOCZUXPNW-UHFFFAOYSA-N
XLogP-0.75
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(methoxymethyl)-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-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate?
The IUPAC name of 2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate (CID 57401191) is 2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate.
What is the SMILES notation for 2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate?
The canonical SMILES for 2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate is COCn1c(=O)[nH]cc(CCOC(C)=O)c1=O.
What is the InChIKey of 2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate?
The InChIKey is CPCPSDOCZUXPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-7(13)17-4-3-8-5-11-10(15)12(6-16-2)9(8)14/h5H,3-4,6H2,1-2H3,(H,11,15).
What are the key properties of 2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate?
2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate has a molecular weight of 242.23 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]ethyl acetate is sourced from PubChem (CID 57401191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).