1-(bromomethyl)-2-(trifluoromethoxy)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-2-methoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carboxylate;2-methoxy-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride

C80H61BrCl5F12N8O21P — CID 161495348

About 1-(bromomethyl)-2-(trifluoromethoxy)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-2-methoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carboxylate;2-methoxy-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride

1-(bromomethyl)-2-(trifluoromethoxy)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-2-methoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carboxylate;2-methoxy-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride (PubChem CID 161495348) has the molecular formula C80H61BrCl5F12N8O21P and a molecular weight of 1986.52 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(trifluoromethoxy)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-2-methoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carboxylate;2-methoxy-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride.

Molecular Properties

• Compound Name: 1-(bromomethyl)-2-(trifluoromethoxy)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-2-methoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carboxylate;2-methoxy-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride
• PubChem CID: 161495348
• Molecular Formula: C80H61BrCl5F12N8O21P
• Molecular Weight: 1986.52 g/mol
• Exact Mass: 1982.11
• IUPAC Name: 1-(bromomethyl)-2-(trifluoromethoxy)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-2-methoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carboxylate;2-methoxy-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride
• SMILES: CCOC(=O)c1c(C=O)nc(OC)nc1-c1ccc(C)o1.COc1nc(-c2ccc(C)o2)c2c(n1)C(Cc1ccccc1OC(F)(F)F)OC2=O.Cc1ccc(-c2nc(=O)[nH]c3c2C(=O)OC3Cc2ccccc2OC(F)(F)F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccccc2OC(F)(F)F)o1.Cl.FC(F)(F)Oc1ccccc1CBr.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C20H15F3N2O5.C19H12ClF3N2O4.C19H13F3N2O5.C14H14N2O5.C8H6BrF3O.Cl3OP.ClH/c1-10-7-8-13(28-10)16-15-17(25-19(24-16)27-2)14(29-18(15)26)9-11-5-3-4-6-12(11)30-20(21,22)23;1-9-6-7-12(27-9)15-14-16(25-18(20)24-15)13(28-17(14)26)8-10-4-2-3-5-11(10)29-19(21,22)23;1-9-6-7-12(27-9)15-14-16(24-18(26)23-15)13(28-17(14)25)8-10-4-2-3-5-11(10)29-19(20,21)22;1-4-20-13(18)11-9(7-17)15-14(19-3)16-12(11)10-6-5-8(2)21-10;9-5-6-3-1-2-4-7(6)13-8(10,11)12;1-5(2,3)4;/h3-8,14H,9H2,1-2H3;2-7,13H,8H2,1H3;2-7,13H,8H2,1H3,(H,23,24,26);5-7H,4H2,1-3H3;1-4H,5H2;;1H
• InChIKey: NGWUBQCXYGGJQU-UHFFFAOYSA-N
• XLogP: 21.90
• TPSA: 370.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1986.52
LogP ≤ 5	21.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

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': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-(bromomethyl)-2-(trifluoromethoxy)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-2-methoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carboxylate;2-methoxy-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride (CID 161495348) is 1-(bromomethyl)-2-(trifluoromethoxy)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-2-methoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carboxylate;2-methoxy-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride.

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

The canonical SMILES for 1-(bromomethyl)-2-(trifluoromethoxy)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-2-methoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carboxylate;2-methoxy-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride is CCOC(=O)c1c(C=O)nc(OC)nc1-c1ccc(C)o1.COc1nc(-c2ccc(C)o2)c2c(n1)C(Cc1ccccc1OC(F)(F)F)OC2=O.Cc1ccc(-c2nc(=O)[nH]c3c2C(=O)OC3Cc2ccccc2OC(F)(F)F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccccc2OC(F)(F)F)o1.Cl.FC(F)(F)Oc1ccccc1CBr.O=P(Cl)(Cl)Cl.

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

The InChIKey is NGWUBQCXYGGJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O5.C19H12ClF3N2O4.C19H13F3N2O5.C14H14N2O5.C8H6BrF3O.Cl3OP.ClH/c1-10-7-8-13(28-10)16-15-17(25-19(24-16)27-2)14(29-18(15)26)9-11-5-3-4-6-12(11)30-20(21,22)23;1-9-6-7-12(27-9)15-14-16(25-18(20)24-15)13(28-17(14)26)8-10-4-2-3-5-11(10)29-19(21,22)23;1-9-6-7-12(27-9)15-14-16(24-18(26)23-15)13(28-17(14)25)8-10-4-2-3-5-11(10)29-19(20,21)22;1-4-20-13(18)11-9(7-17)15-14(19-3)16-12(11)10-6-5-8(2)21-10;9-5-6-3-1-2-4-7(6)13-8(10,11)12;1-5(2,3)4;/h3-8,14H,9H2,1-2H3;2-7,13H,8H2,1H3;2-7,13H,8H2,1H3,(H,23,24,26);5-7H,4H2,1-3H3;1-4H,5H2;;1H.

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

1-(bromomethyl)-2-(trifluoromethoxy)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-2-methoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carboxylate;2-methoxy-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride has a molecular weight of 1986.52 g/mol, XLogP of 21.90, 20 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(bromomethyl)-2-(trifluoromethoxy)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-2-methoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carboxylate;2-methoxy-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride is sourced from PubChem (CID 161495348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).