3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one

C17H11N3O4S — CID 2918555

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ncccn2)C1c1cccs1)c1ccco1
InChIInChI=1S/C17H11N3O4S/c21-14(10-4-1-8-24-10)12-13(11-5-2-9-25-11)20(16(23)15(12)22)17-18-6-3-7-19-17/h1-9,13,22H
InChIKeyDTPDDQVDXNRODJ-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.91
Rot. Bonds4

About 3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 2918555) has the molecular formula C17H11N3O4S and a molecular weight of 353.36 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID2918555
Molecular FormulaC17H11N3O4S
Molecular Weight353.36 g/mol
Exact Mass353.05
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ncccn2)C1c1cccs1)c1ccco1
InChIInChI=1S/C17H11N3O4S/c21-14(10-4-1-8-24-10)12-13(11-5-2-9-25-11)20(16(23)15(12)22)17-18-6-3-7-19-17/h1-9,13,22H
InChIKeyDTPDDQVDXNRODJ-UHFFFAOYSA-N
XLogP2.91
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-furan-2-yl[2-(4-methylphenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate
CID 3704657
(4E)-5-(4-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione
CID 3789487
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
CID 2918617
1-[3-(Furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 16255979
(2R)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
CID 1323769
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
CID 1323770
(2S)-2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
CID 7395008
(2R)-2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
CID 7395009
(4E)-4-[furan-2-yl(hydroxy)methylidene]-5-(3-methoxyphenyl)-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione
CID 2917924
2-[2-(Furan-2-yl)thiophen-3-yl]pyrimidine
CID 141064168
5-(furan-2-yl)-3-pyrimidin-2-yl-4-thiophen-2-yl-1H-pyridin-2-one
CID 141207617
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one
CID 1323712

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one (CID 2918555) is 3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1cccs1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is DTPDDQVDXNRODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O4S/c21-14(10-4-1-8-24-10)12-13(11-5-2-9-25-11)20(16(23)15(12)22)17-18-6-3-7-19-17/h1-9,13,22H.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 353.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 2918555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).