3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione

C12H20N2O5 — CID 104567364

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione
SMILESCOCCOCCOCCn1c(=O)ccn(C)c1=O
InChIInChI=1S/C12H20N2O5/c1-13-4-3-11(15)14(12(13)16)5-6-18-9-10-19-8-7-17-2/h3-4H,5-10H2,1-2H3
InChIKeyCETKDRQYYCCBCI-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.77
Rot. Bonds9

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione

3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione (PubChem CID 104567364) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione
PubChem CID104567364
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione
SMILESCOCCOCCOCCn1c(=O)ccn(C)c1=O
InChIInChI=1S/C12H20N2O5/c1-13-4-3-11(15)14(12(13)16)5-6-18-9-10-19-8-7-17-2/h3-4H,5-10H2,1-2H3
InChIKeyCETKDRQYYCCBCI-UHFFFAOYSA-N
XLogP-0.77
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione 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

1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 55240533
1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one
CID 116624618
3-[3-(2-methoxyethylamino)propyl]-1-methylpyrimidine-2,4-dione
CID 63812509
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione
CID 112547602
3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione
CID 65367266
3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione
CID 63799617
1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one
CID 116624225
1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 63810761
2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetaldehyde
CID 63801196
hydrazinyl 3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoate
CID 66339527
3-(2-ethylsulfanylethyl)-1-methylpyrimidine-2,4-dione
CID 115865604
3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanethioamide
CID 63800675

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione (CID 104567364) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione is COCCOCCOCCn1c(=O)ccn(C)c1=O.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is CETKDRQYYCCBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-13-4-3-11(15)14(12(13)16)5-6-18-9-10-19-8-7-17-2/h3-4H,5-10H2,1-2H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of -0.77, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 104567364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).