4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one

C8H9N3O3 — CID 155971339

IUPAC4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one
SMILESO=C1CCC(c2c(O)nc[nH]c2=O)N1
InChIInChI=1S/C8H9N3O3/c12-5-2-1-4(11-5)6-7(13)9-3-10-8(6)14/h3-4H,1-2H2,(H,11,12)(H2,9,10,13,14)
InChIKeyGLJDLXWKCJDEHN-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.57
Rot. Bonds1

About 4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one

4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one (PubChem CID 155971339) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one
PubChem CID155971339
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one
SMILESO=C1CCC(c2c(O)nc[nH]c2=O)N1
InChIInChI=1S/C8H9N3O3/c12-5-2-1-4(11-5)6-7(13)9-3-10-8(6)14/h3-4H,1-2H2,(H,11,12)(H2,9,10,13,14)
InChIKeyGLJDLXWKCJDEHN-UHFFFAOYSA-N
XLogP-0.57
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one (CID 155971339) is 4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one is O=C1CCC(c2c(O)nc[nH]c2=O)N1.
What is the InChIKey of 4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is GLJDLXWKCJDEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-5-2-1-4(11-5)6-7(13)9-3-10-8(6)14/h3-4H,1-2H2,(H,11,12)(H2,9,10,13,14).
What are the key properties of 4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 195.18 g/mol, XLogP of -0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(5-oxopyrrolidin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 155971339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).