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

C19H12FN3O4 — CID 3789487

IUPAC2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ncccn2)C1c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C19H12FN3O4/c20-12-6-4-11(5-7-12)15-14(16(24)13-3-1-10-27-13)17(25)18(26)23(15)19-21-8-2-9-22-19/h1-10,15,25H
InChIKeyPTPDTLVDPFVYFP-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.99
Rot. Bonds4

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

2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one (PubChem CID 3789487) has the molecular formula C19H12FN3O4 and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
PubChem CID3789487
Molecular FormulaC19H12FN3O4
Molecular Weight365.32 g/mol
Exact Mass365.08
IUPAC Name2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ncccn2)C1c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C19H12FN3O4/c20-12-6-4-11(5-7-12)15-14(16(24)13-3-1-10-27-13)17(25)18(26)23(15)19-21-8-2-9-22-19/h1-10,15,25H
InChIKeyPTPDTLVDPFVYFP-UHFFFAOYSA-N
XLogP2.99
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
(E)-[2-(2-fluorophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](5-methylfuran-2-yl)methanolate
CID 3820161
Furan-2-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyrimidin-2-yl-amide
CID 10429616
Furan-2-carboxylic acid (2-chloro-pyrimidin-4-yl)-(1-phenethyl-piperidin-4-yl)-amide
CID 14330390
4-(2-Furoyl)-3-hydroxy-1-[3-(1H-imidazol-1-YL)propyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2908630
2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 2913480
5-(3-Allyloxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-pyridin-4-ylmethyl-1,5-dihydro-pyrrol-2-one
CID 646495
5-(3-Ethoxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-pyridin-4-ylmethyl-1,5-dihydro-pyrrol-2-one
CID 652592
5-[4-(allyloxy)phenyl]-4-(2-furoyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2911378
(4E)-5-(4-chlorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione
CID 2917647
4-(2-Furylcarbonyl)-3-hydroxy-1-pyrimidin-2-yl-5-(2-thienyl)-3-pyrrolin-2-one
CID 2918555
(4E)-5-(4-ethoxyphenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 2919194

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one (CID 3789487) is 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1ccc(F)cc1)c1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The InChIKey is PTPDTLVDPFVYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O4/c20-12-6-4-11(5-7-12)15-14(16(24)13-3-1-10-27-13)17(25)18(26)23(15)19-21-8-2-9-22-19/h1-10,15,25H.
What are the key properties of 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one?
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one has a molecular weight of 365.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 3789487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).