7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one

C71H40Cl6F8N8O12 — CID 159265464

About 7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one

7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 159265464) has the molecular formula C71H40Cl6F8N8O12 and a molecular weight of 1561.85 g/mol. Its IUPAC name is 7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one
• PubChem CID: 159265464
• Molecular Formula: C71H40Cl6F8N8O12
• Molecular Weight: 1561.85 g/mol
• Exact Mass: 1558.08
• IUPAC Name: 7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one
• SMILES: Cc1ccccc1CC1OC(=O)c2c(-c3ccco3)nc(Cl)nc21.O=C1OC(Cc2c(F)cccc2Cl)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2cccc(Cl)c2F)c2nc(Cl)nc(-c3ccco3)c21
• InChI: InChI=1S/C19H9ClF6N2O3.C18H13ClN2O3.2C17H9Cl2FN2O3/c20-17-27-14(11-2-1-3-30-11)13-15(28-17)12(31-16(13)29)6-8-4-9(18(21,22)23)7-10(5-8)19(24,25)26;1-10-5-2-3-6-11(10)9-13-16-14(17(22)24-13)15(20-18(19)21-16)12-7-4-8-23-12;18-9-3-1-4-10(20)8(9)7-12-15-13(16(23)25-12)14(21-17(19)22-15)11-5-2-6-24-11;18-9-4-1-3-8(13(9)20)7-11-15-12(16(23)25-11)14(21-17(19)22-15)10-5-2-6-24-10/h1-5,7,12H,6H2;2-8,13H,9H2,1H3;1-6,12H,7H2;1-6,11H,7H2
• InChIKey: KXARZKHQYNWXHC-UHFFFAOYSA-N
• XLogP: 19.31
• TPSA: 260.88 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1561.85
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The IUPAC name of 7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one (CID 159265464) is 7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one.

What is the SMILES notation for 7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The canonical SMILES for 7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one is Cc1ccccc1CC1OC(=O)c2c(-c3ccco3)nc(Cl)nc21.O=C1OC(Cc2c(F)cccc2Cl)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2cccc(Cl)c2F)c2nc(Cl)nc(-c3ccco3)c21.

What is the InChIKey of 7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The InChIKey is KXARZKHQYNWXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9ClF6N2O3.C18H13ClN2O3.2C17H9Cl2FN2O3/c20-17-27-14(11-2-1-3-30-11)13-15(28-17)12(31-16(13)29)6-8-4-9(18(21,22)23)7-10(5-8)19(24,25)26;1-10-5-2-3-6-11(10)9-13-16-14(17(22)24-13)15(20-18(19)21-16)12-7-4-8-23-12;18-9-3-1-4-10(20)8(9)7-12-15-13(16(23)25-12)14(21-17(19)22-15)11-5-2-6-24-11;18-9-4-1-3-8(13(9)20)7-11-15-12(16(23)25-11)14(21-17(19)22-15)10-5-2-6-24-10/h1-5,7,12H,6H2;2-8,13H,9H2,1H3;1-6,12H,7H2;1-6,11H,7H2.

What are the key properties of 7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one?

7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 1561.85 g/mol, XLogP of 19.31, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 159265464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).