2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one

C73H51BrF7N13O12 — CID 159611146

About 2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one

2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 159611146) has the molecular formula C73H51BrF7N13O12 and a molecular weight of 1515.18 g/mol. Its IUPAC name is 2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one
• PubChem CID: 159611146
• Molecular Formula: C73H51BrF7N13O12
• Molecular Weight: 1515.18 g/mol
• Exact Mass: 1513.29
• IUPAC Name: 2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one
• SMILES: CN1C(=O)c2c(nc(N)nc2-c2ccco2)/C1=C/c1ccccc1F.Cc1ccc(-c2nc(N)nc3c2C(=O)O/C3=C\c2ccccc2OC(F)F)o1.Nc1nc(-c2ccc(Br)o2)c2c(n1)C(Cc1ccccc1OC(F)(F)F)OC2=O.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1F)C(=O)C2
• InChI: InChI=1S/C19H13F2N3O4.C18H11BrF3N3O4.C18H13FN4O2.C18H14FN3O2/c1-9-6-7-12(26-9)15-14-16(24-19(22)23-15)13(27-17(14)25)8-10-4-2-3-5-11(10)28-18(20)21;19-12-6-5-10(27-12)14-13-15(25-17(23)24-14)11(28-16(13)26)7-8-3-1-2-4-9(8)29-18(20,21)22;1-23-12(9-10-5-2-3-6-11(10)19)15-14(17(23)24)16(22-18(20)21-15)13-7-4-8-25-13;19-13-5-2-1-4-10(13)8-11-14(23)9-12-16(11)21-18(20)22-17(12)15-6-3-7-24-15/h2-8,18H,1H3,(H2,22,23,24);1-6,11H,7H2,(H2,23,24,25);2-9H,1H3,(H2,20,21,22);1-7,11H,8-9H2,(H2,20,21,22)/b13-8-;;12-9-
• InChIKey: MMRZNFXQMCNYCF-YYBJQVTMSA-N
• XLogP: 14.28
• TPSA: 368.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1515.18
LogP ≤ 5	14.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one?

The IUPAC name of 2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one (CID 159611146) is 2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one.

What is the SMILES notation for 2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one?

The canonical SMILES for 2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one is CN1C(=O)c2c(nc(N)nc2-c2ccco2)/C1=C/c1ccccc1F.Cc1ccc(-c2nc(N)nc3c2C(=O)O/C3=C\c2ccccc2OC(F)F)o1.Nc1nc(-c2ccc(Br)o2)c2c(n1)C(Cc1ccccc1OC(F)(F)F)OC2=O.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1F)C(=O)C2.

What is the InChIKey of 2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one?

The InChIKey is MMRZNFXQMCNYCF-YYBJQVTMSA-N. The full InChI is InChI=1S/C19H13F2N3O4.C18H11BrF3N3O4.C18H13FN4O2.C18H14FN3O2/c1-9-6-7-12(26-9)15-14-16(24-19(22)23-15)13(27-17(14)25)8-10-4-2-3-5-11(10)28-18(20)21;19-12-6-5-10(27-12)14-13-15(25-17(23)24-14)11(28-16(13)26)7-8-3-1-2-4-9(8)29-18(20,21)22;1-23-12(9-10-5-2-3-6-11(10)19)15-14(17(23)24)16(22-18(20)21-15)13-7-4-8-25-13;19-13-5-2-1-4-10(13)8-11-14(23)9-12-16(11)21-18(20)22-17(12)15-6-3-7-24-15/h2-8,18H,1H3,(H2,22,23,24);1-6,11H,7H2,(H2,23,24,25);2-9H,1H3,(H2,20,21,22);1-7,11H,8-9H2,(H2,20,21,22)/b13-8-;;12-9-;.

What are the key properties of 2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one?

2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 1515.18 g/mol, XLogP of 14.28, 13 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-(5-bromofuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7Z)-2-amino-7-[[2-(difluoromethoxy)phenyl]methylidene]-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;(7Z)-2-amino-7-[(2-fluorophenyl)methylidene]-4-(furan-2-yl)-6-methylpyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 159611146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).