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

C20H15N3O5 — CID 2917924

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
SMILESCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)c1
InChIInChI=1S/C20H15N3O5/c1-27-13-6-2-5-12(11-13)16-15(17(24)14-7-3-10-28-14)18(25)19(26)23(16)20-21-8-4-9-22-20/h2-11,16,25H,1H3
InChIKeyDTSHOGNPRXMURF-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.86
Rot. Bonds5

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

3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one (PubChem CID 2917924) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
PubChem CID2917924
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
SMILESCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)c1
InChIInChI=1S/C20H15N3O5/c1-27-13-6-2-5-12(11-13)16-15(17(24)14-7-3-10-28-14)18(25)19(26)23(16)20-21-8-4-9-22-20/h2-11,16,25H,1H3
InChIKeyDTSHOGNPRXMURF-UHFFFAOYSA-N
XLogP2.86
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one (CID 2917924) is 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one is COc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)c1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The InChIKey is DTSHOGNPRXMURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c1-27-13-6-2-5-12(11-13)16-15(17(24)14-7-3-10-28-14)18(25)19(26)23(16)20-21-8-4-9-22-20/h2-11,16,25H,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one has a molecular weight of 377.36 g/mol, XLogP of 2.86, 5 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-2-(3-methoxyphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 2917924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).