5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione

C11H15N3O4 — CID 112601056

IUPAC5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1c(O)n(CC2CCC(=O)N2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O4/c1-2-7-9(16)13-11(18)14(10(7)17)5-6-3-4-8(15)12-6/h6,17H,2-5H2,1H3,(H,12,15)(H,13,16,18)
InChIKeyWBDAMADZPCVNRZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.92
Rot. Bonds3

About 5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 112601056) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione
PubChem CID112601056
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1c(O)n(CC2CCC(=O)N2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O4/c1-2-7-9(16)13-11(18)14(10(7)17)5-6-3-4-8(15)12-6/h6,17H,2-5H2,1H3,(H,12,15)(H,13,16,18)
InChIKeyWBDAMADZPCVNRZ-UHFFFAOYSA-N
XLogP-0.92
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione (CID 112601056) is 5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione is CCc1c(O)n(CC2CCC(=O)N2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is WBDAMADZPCVNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-7-9(16)13-11(18)14(10(7)17)5-6-3-4-8(15)12-6/h6,17H,2-5H2,1H3,(H,12,15)(H,13,16,18).
What are the key properties of 5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-[(5-oxopyrrolidin-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112601056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).