2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

C72H47Cl4F3N8O16S — CID 159489694

About 2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 159489694) has the molecular formula C72H47Cl4F3N8O16S and a molecular weight of 1511.08 g/mol. Its IUPAC name is 2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
• PubChem CID: 159489694
• Molecular Formula: C72H47Cl4F3N8O16S
• Molecular Weight: 1511.08 g/mol
• Exact Mass: 1508.15
• IUPAC Name: 2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
• SMILES: CS(=O)(=O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(Cl)nc32)cc1.Cc1ccc(CC2OC(=O)c3c(-c4ccco4)nc(Cl)nc32)cc1.O=C(O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(Cl)nc32)cc1.O=C1OC(Cc2ccccc2C(F)(F)F)c2nc(Cl)nc(-c3ccco3)c21
• InChI: InChI=1S/C18H10ClF3N2O3.C18H13ClN2O5S.C18H11ClN2O5.C18H13ClN2O3/c19-17-23-14(11-6-3-7-26-11)13-15(24-17)12(27-16(13)25)8-9-4-1-2-5-10(9)18(20,21)22;1-27(23,24)11-6-4-10(5-7-11)9-13-16-14(17(22)26-13)15(20-18(19)21-16)12-3-2-8-25-12;19-18-20-14(11-2-1-7-25-11)13-15(21-18)12(26-17(13)24)8-9-3-5-10(6-4-9)16(22)23;1-10-4-6-11(7-5-10)9-13-16-14(17(22)24-13)15(20-18(19)21-16)12-3-2-8-23-12/h1-7,12H,8H2;2-8,13H,9H2,1H3;1-7,12H,8H2,(H,22,23);2-8,13H,9H2,1H3
• InChIKey: LYAKNSVCUCEJJA-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 332.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1511.08
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The IUPAC name of 2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (CID 159489694) is 2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

What is the SMILES notation for 2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The canonical SMILES for 2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is CS(=O)(=O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(Cl)nc32)cc1.Cc1ccc(CC2OC(=O)c3c(-c4ccco4)nc(Cl)nc32)cc1.O=C(O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(Cl)nc32)cc1.O=C1OC(Cc2ccccc2C(F)(F)F)c2nc(Cl)nc(-c3ccco3)c21.

What is the InChIKey of 2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The InChIKey is LYAKNSVCUCEJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N2O3.C18H13ClN2O5S.C18H11ClN2O5.C18H13ClN2O3/c19-17-23-14(11-6-3-7-26-11)13-15(24-17)12(27-16(13)25)8-9-4-1-2-5-10(9)18(20,21)22;1-27(23,24)11-6-4-10(5-7-11)9-13-16-14(17(22)26-13)15(20-18(19)21-16)12-3-2-8-25-12;19-18-20-14(11-2-1-7-25-11)13-15(21-18)12(26-17(13)24)8-9-3-5-10(6-4-9)16(22)23;1-10-4-6-11(7-5-10)9-13-16-14(17(22)24-13)15(20-18(19)21-16)12-3-2-8-23-12/h1-7,12H,8H2;2-8,13H,9H2,1H3;1-7,12H,8H2,(H,22,23);2-8,13H,9H2,1H3.

What are the key properties of 2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 1511.08 g/mol, XLogP of 15.81, 14 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-chloro-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzoic acid;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 159489694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).