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

C20H15N3O4 — CID 3704657

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)cc1
InChIInChI=1S/C20H15N3O4/c1-12-5-7-13(8-6-12)16-15(17(24)14-4-2-11-27-14)18(25)19(26)23(16)20-21-9-3-10-22-20/h2-11,16,25H,1H3
InChIKeySWPNMPUJSHGHMD-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.16
Rot. Bonds4

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

3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one (PubChem CID 3704657) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
PubChem CID3704657
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)cc1
InChIInChI=1S/C20H15N3O4/c1-12-5-7-13(8-6-12)16-15(17(24)14-4-2-11-27-14)18(25)19(26)23(16)20-21-9-3-10-22-20/h2-11,16,25H,1H3
InChIKeySWPNMPUJSHGHMD-UHFFFAOYSA-N
XLogP3.16
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one (CID 3704657) is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)cc1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The InChIKey is SWPNMPUJSHGHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-12-5-7-13(8-6-12)16-15(17(24)14-4-2-11-27-14)18(25)19(26)23(16)20-21-9-3-10-22-20/h2-11,16,25H,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one has a molecular weight of 361.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 3704657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).