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

C90H68BrCl9ILiN11O20P — CID 158141049

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

lithium;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-chlorobenzene;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;methane;phosphoryl trichloride;iodide (PubChem CID 158141049) has the molecular formula C90H68BrCl9ILiN11O20P and a molecular weight of 2187.39 g/mol. Its IUPAC name is lithium;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-chlorobenzene;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;methane;phosphoryl trichloride;iodide.

Molecular Properties

• Compound Name: lithium;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-chlorobenzene;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;methane;phosphoryl trichloride;iodide
• PubChem CID: 158141049
• Molecular Formula: C90H68BrCl9ILiN11O20P
• Molecular Weight: 2187.39 g/mol
• Exact Mass: 2181.00
• IUPAC Name: lithium;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-chlorobenzene;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;methane;phosphoryl trichloride;iodide
• SMILES: C.CCOC(=O)c1c(C=O)nc(OC)nc1-c1ccco1.COc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1Cl)OC2=O.Clc1ccccc1CBr.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1Cl)OC2=O.O=C1OC(Cc2ccccc2Cl)c2[nH]c(=O)nc(-c3ccco3)c21.O=C1OC(Cc2ccccc2Cl)c2nc(Cl)nc(-c3ccco3)c21.O=P(Cl)(Cl)Cl.[I-].[Li+]
• InChI: InChI=1S/C18H13ClN2O4.C17H10Cl2N2O3.C17H12ClN3O3.C17H11ClN2O4.C13H12N2O5.C7H6BrCl.CH4.Cl3OP.HI.Li/c1-23-18-20-15(12-7-4-8-24-12)14-16(21-18)13(25-17(14)22)9-10-5-2-3-6-11(10)19;2*18-10-5-2-1-4-9(10)8-12-15-13(16(22)24-12)14(20-17(19)21-15)11-6-3-7-23-11;18-10-5-2-1-4-9(10)8-12-15-13(16(21)24-12)14(19-17(22)20-15)11-6-3-7-23-11;1-3-19-12(17)10-8(7-16)14-13(18-2)15-11(10)9-5-4-6-20-9;8-5-6-3-1-2-4-7(6)9;;1-5(2,3)4;;/h2-8,13H,9H2,1H3;1-7,12H,8H2;1-7,12H,8H2,(H2,19,20,21);1-7,12H,8H2,(H,19,20,22);4-7H,3H2,1-2H3;1-4H,5H2;1H4;;1H;/q;;;;;;;;;+1/p-1
• InChIKey: FTYDEYMSDSQAAI-UHFFFAOYSA-M
• XLogP: 17.34
• TPSA: 424.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2187.39
LogP ≤ 5	17.34
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-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-chlorobenzene;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;methane;phosphoryl trichloride;iodide?

The IUPAC name of lithium;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-chlorobenzene;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;methane;phosphoryl trichloride;iodide (CID 158141049) is lithium;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-chlorobenzene;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;methane;phosphoryl trichloride;iodide.

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

The canonical SMILES for lithium;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-chlorobenzene;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;methane;phosphoryl trichloride;iodide is C.CCOC(=O)c1c(C=O)nc(OC)nc1-c1ccco1.COc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1Cl)OC2=O.Clc1ccccc1CBr.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1Cl)OC2=O.O=C1OC(Cc2ccccc2Cl)c2[nH]c(=O)nc(-c3ccco3)c21.O=C1OC(Cc2ccccc2Cl)c2nc(Cl)nc(-c3ccco3)c21.O=P(Cl)(Cl)Cl.[I-].[Li+].

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

The InChIKey is FTYDEYMSDSQAAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13ClN2O4.C17H10Cl2N2O3.C17H12ClN3O3.C17H11ClN2O4.C13H12N2O5.C7H6BrCl.CH4.Cl3OP.HI.Li/c1-23-18-20-15(12-7-4-8-24-12)14-16(21-18)13(25-17(14)22)9-10-5-2-3-6-11(10)19;2*18-10-5-2-1-4-9(10)8-12-15-13(16(22)24-12)14(20-17(19)21-15)11-6-3-7-23-11;18-10-5-2-1-4-9(10)8-12-15-13(16(21)24-12)14(19-17(22)20-15)11-6-3-7-23-11;1-3-19-12(17)10-8(7-16)14-13(18-2)15-11(10)9-5-4-6-20-9;8-5-6-3-1-2-4-7(6)9;;1-5(2,3)4;;/h2-8,13H,9H2,1H3;1-7,12H,8H2;1-7,12H,8H2,(H2,19,20,21);1-7,12H,8H2,(H,19,20,22);4-7H,3H2,1-2H3;1-4H,5H2;1H4;;1H;/q;;;;;;;;;+1/p-1.

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

lithium;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-chlorobenzene;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;methane;phosphoryl trichloride;iodide has a molecular weight of 2187.39 g/mol, XLogP of 17.34, 19 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-chlorobenzene;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;methane;phosphoryl trichloride;iodide is sourced from PubChem (CID 158141049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).