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

C14H13N3O3 — CID 168704019

IUPAC2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESO=C1CC(O)CN1c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H13N3O3/c18-10-6-13(20)17(8-10)14-15-11(7-12(19)16-14)9-4-2-1-3-5-9/h1-5,7,10,18H,6,8H2,(H,15,16,19)
InChIKeySTHCWIZQISUXOM-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.53
Rot. Bonds2

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

2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 168704019) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID168704019
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESO=C1CC(O)CN1c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H13N3O3/c18-10-6-13(20)17(8-10)14-15-11(7-12(19)16-14)9-4-2-1-3-5-9/h1-5,7,10,18H,6,8H2,(H,15,16,19)
InChIKeySTHCWIZQISUXOM-UHFFFAOYSA-N
XLogP0.53
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136780047
tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 135630848
1-(4-fluorophenyl)-5-oxo-N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]pyrrolidine-3-carboxamide
CID 136605523
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one
CID 135745003
1-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 136615299
2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
CID 135421720
4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135644799
6-oxo-4-phenyl-1H-pyrimidine-2-sulfonic acid
CID 151172455
4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
CID 168704175
1-[4-(3-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one
CID 168704108
1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168704052

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one (CID 168704019) is 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one is O=C1CC(O)CN1c1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is STHCWIZQISUXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-10-6-13(20)17(8-10)14-15-11(7-12(19)16-14)9-4-2-1-3-5-9/h1-5,7,10,18H,6,8H2,(H,15,16,19).
What are the key properties of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one?
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 271.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 168704019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).