3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione

C8H12N2O3 — CID 65367266

IUPAC3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione
SMILESCCOCn1c(=O)ccn(C)c1=O
InChIInChI=1S/C8H12N2O3/c1-3-13-6-10-7(11)4-5-9(2)8(10)12/h4-5H,3,6H2,1-2H3
InChIKeyZACZWSASXYZUGM-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.46
Rot. Bonds3

About 3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione

3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 65367266) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione
PubChem CID65367266
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione
SMILESCCOCn1c(=O)ccn(C)c1=O
InChIInChI=1S/C8H12N2O3/c1-3-13-6-10-7(11)4-5-9(2)8(10)12/h4-5H,3,6H2,1-2H3
InChIKeyZACZWSASXYZUGM-UHFFFAOYSA-N
XLogP-0.46
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione (CID 65367266) is 3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione is CCOCn1c(=O)ccn(C)c1=O.
What is the InChIKey of 3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is ZACZWSASXYZUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-13-6-10-7(11)4-5-9(2)8(10)12/h4-5H,3,6H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione?
3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 65367266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).