6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione

C10H13N3O4 — CID 113406530

IUPAC6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=C(Cn1c(O)cc(=O)[nH]c1=O)N1CCCC1
InChIInChI=1S/C10H13N3O4/c14-7-5-8(15)13(10(17)11-7)6-9(16)12-3-1-2-4-12/h5,15H,1-4,6H2,(H,11,14,17)
InChIKeyIWJRMAJYXKHZGZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.14
Rot. Bonds2

About 6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione

6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 113406530) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
PubChem CID113406530
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=C(Cn1c(O)cc(=O)[nH]c1=O)N1CCCC1
InChIInChI=1S/C10H13N3O4/c14-7-5-8(15)13(10(17)11-7)6-9(16)12-3-1-2-4-12/h5,15H,1-4,6H2,(H,11,14,17)
InChIKeyIWJRMAJYXKHZGZ-UHFFFAOYSA-N
XLogP-1.14
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione (CID 113406530) is 6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione is O=C(Cn1c(O)cc(=O)[nH]c1=O)N1CCCC1.
What is the InChIKey of 6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is IWJRMAJYXKHZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-7-5-8(15)13(10(17)11-7)6-9(16)12-3-1-2-4-12/h5,15H,1-4,6H2,(H,11,14,17).
What are the key properties of 6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione?
6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 239.23 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 113406530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).