1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione

C10H16N2O3 — CID 123182378

IUPAC1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione
SMILESCCOC(C)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-4-15-8(3)6-12-5-7(2)9(13)11-10(12)14/h5,8H,4,6H2,1-3H3,(H,11,13,14)
InChIKeyXAWAOCUIJGRJJF-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.27
Rot. Bonds4

About 1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione

1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione (PubChem CID 123182378) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione
PubChem CID123182378
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione
SMILESCCOC(C)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-4-15-8(3)6-12-5-7(2)9(13)11-10(12)14/h5,8H,4,6H2,1-3H3,(H,11,13,14)
InChIKeyXAWAOCUIJGRJJF-UHFFFAOYSA-N
XLogP0.27
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione (CID 123182378) is 1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione is CCOC(C)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is XAWAOCUIJGRJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-15-8(3)6-12-5-7(2)9(13)11-10(12)14/h5,8H,4,6H2,1-3H3,(H,11,13,14).
What are the key properties of 1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione?
1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 123182378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).