2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)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-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride

C99H75BrCl5F15N11O20P — CID 161395967

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

2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)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-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride (PubChem CID 161395967) has the molecular formula C99H75BrCl5F15N11O20P and a molecular weight of 2311.86 g/mol. Its IUPAC name is 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)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-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)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-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride
• PubChem CID: 161395967
• Molecular Formula: C99H75BrCl5F15N11O20P
• Molecular Weight: 2311.86 g/mol
• Exact Mass: 2307.23
• IUPAC Name: 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)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-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)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(Cc1ccccc1C(F)(F)F)OC2=O.Cc1ccc(-c2nc(=O)[nH]c3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1.Cl.FC(F)(F)c1ccccc1CBr.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C20H15F3N2O4.C19H12ClF3N2O3.C19H14F3N3O3.C19H13F3N2O4.C14H14N2O5.C8H6BrF3.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)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)19(21,22)23;1-9-6-7-12(27-9)15-14-16(25-18(23)24-15)13(28-17(14)26)8-10-4-2-3-5-11(10)19(20,21)22;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)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)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,(H2,23,24,25);2-7,13H,8H2,1H3,(H,23,24,26);5-7H,4H2,1-3H3;1-4H,5H2;;1H
• InChIKey: VGWRANJRJKPRPN-UHFFFAOYSA-N
• XLogP: 26.49
• TPSA: 424.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2311.86
LogP ≤ 5	26.49
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': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)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-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride (CID 161395967) is 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)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-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride.

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

The canonical SMILES for 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)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-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)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(Cc1ccccc1C(F)(F)F)OC2=O.Cc1ccc(-c2nc(=O)[nH]c3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1.Cl.FC(F)(F)c1ccccc1CBr.O=P(Cl)(Cl)Cl.

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

The InChIKey is VGWRANJRJKPRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O4.C19H12ClF3N2O3.C19H14F3N3O3.C19H13F3N2O4.C14H14N2O5.C8H6BrF3.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)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)19(21,22)23;1-9-6-7-12(27-9)15-14-16(25-18(23)24-15)13(28-17(14)26)8-10-4-2-3-5-11(10)19(20,21)22;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)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)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,(H2,23,24,25);2-7,13H,8H2,1H3,(H,23,24,26);5-7H,4H2,1-3H3;1-4H,5H2;;1H.

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

2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)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-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride has a molecular weight of 2311.86 g/mol, XLogP of 26.49, 19 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)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-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;phosphoryl trichloride;hydrochloride is sourced from PubChem (CID 161395967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).