lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide

C95H68BrCl4F15ILiN11O20P — CID 158470878

About lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide

lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide (PubChem CID 158470878) has the molecular formula C95H68BrCl4F15ILiN11O20P and a molecular weight of 2355.15 g/mol. Its IUPAC name is lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide.

Molecular Properties

• Compound Name: lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide
• PubChem CID: 158470878
• Molecular Formula: C95H68BrCl4F15ILiN11O20P
• Molecular Weight: 2355.15 g/mol
• Exact Mass: 2351.13
• IUPAC Name: lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide
• SMILES: C.CCOC(=O)c1c(C=O)nc(OC)nc1-c1ccco1.COc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1C(F)(F)F)OC2=O.FC(F)(F)c1ccccc1CBr.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1C(F)(F)F)OC2=O.O=C1OC(Cc2ccccc2C(F)(F)F)c2[nH]c(=O)nc(-c3ccco3)c21.O=C1OC(Cc2ccccc2C(F)(F)F)c2nc(Cl)nc(-c3ccco3)c21.O=P(Cl)(Cl)Cl.[I-].[Li+]
• InChI: InChI=1S/C19H13F3N2O4.C18H10ClF3N2O3.C18H12F3N3O3.C18H11F3N2O4.C13H12N2O5.C8H6BrF3.CH4.Cl3OP.HI.Li/c1-26-18-23-15(12-7-4-8-27-12)14-16(24-18)13(28-17(14)25)9-10-5-2-3-6-11(10)19(20,21)22;19-17-23-14(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;19-18(20,21)10-5-2-1-4-9(10)8-12-15-13(16(25)27-12)14(23-17(22)24-15)11-6-3-7-26-11;19-18(20,21)10-5-2-1-4-9(10)8-12-15-13(16(24)27-12)14(22-17(25)23-15)11-6-3-7-26-11;1-3-19-12(17)10-8(7-16)14-13(18-2)15-11(10)9-5-4-6-20-9;9-5-6-3-1-2-4-7(6)8(10,11)12;;1-5(2,3)4;;/h2-8,13H,9H2,1H3;1-7,12H,8H2;1-7,12H,8H2,(H2,22,23,24);1-7,12H,8H2,(H,22,23,25);4-7H,3H2,1-2H3;1-4H,5H2;1H4;;1H;/q;;;;;;;;;+1/p-1
• InChIKey: HGIICQYNNMXUFL-UHFFFAOYSA-M
• XLogP: 19.17
• TPSA: 424.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2355.15
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide?

The IUPAC name of lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide (CID 158470878) is lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide.

What is the SMILES notation for lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide?

The canonical SMILES for lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide is C.CCOC(=O)c1c(C=O)nc(OC)nc1-c1ccco1.COc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1C(F)(F)F)OC2=O.FC(F)(F)c1ccccc1CBr.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1C(F)(F)F)OC2=O.O=C1OC(Cc2ccccc2C(F)(F)F)c2[nH]c(=O)nc(-c3ccco3)c21.O=C1OC(Cc2ccccc2C(F)(F)F)c2nc(Cl)nc(-c3ccco3)c21.O=P(Cl)(Cl)Cl.[I-].[Li+].

What is the InChIKey of lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide?

The InChIKey is HGIICQYNNMXUFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H13F3N2O4.C18H10ClF3N2O3.C18H12F3N3O3.C18H11F3N2O4.C13H12N2O5.C8H6BrF3.CH4.Cl3OP.HI.Li/c1-26-18-23-15(12-7-4-8-27-12)14-16(24-18)13(28-17(14)25)9-10-5-2-3-6-11(10)19(20,21)22;19-17-23-14(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;19-18(20,21)10-5-2-1-4-9(10)8-12-15-13(16(25)27-12)14(23-17(22)24-15)11-6-3-7-26-11;19-18(20,21)10-5-2-1-4-9(10)8-12-15-13(16(24)27-12)14(22-17(25)23-15)11-6-3-7-26-11;1-3-19-12(17)10-8(7-16)14-13(18-2)15-11(10)9-5-4-6-20-9;9-5-6-3-1-2-4-7(6)8(10,11)12;;1-5(2,3)4;;/h2-8,13H,9H2,1H3;1-7,12H,8H2;1-7,12H,8H2,(H2,22,23,24);1-7,12H,8H2,(H,22,23,25);4-7H,3H2,1-2H3;1-4H,5H2;1H4;;1H;/q;;;;;;;;;+1/p-1.

What are the key properties of lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide?

lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide has a molecular weight of 2355.15 g/mol, XLogP of 19.17, 19 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide is sourced from PubChem (CID 158470878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).