2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

C72H51BrF8N12O12 — CID 157115579

About 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 157115579) has the molecular formula C72H51BrF8N12O12 and a molecular weight of 1508.16 g/mol. Its IUPAC name is 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
• PubChem CID: 157115579
• Molecular Formula: C72H51BrF8N12O12
• Molecular Weight: 1508.16 g/mol
• Exact Mass: 1506.28
• IUPAC Name: 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
• SMILES: Cc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccc(F)cc2F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2F)o1.Nc1nc(-c2ccc(Br)o2)c2c(n1)C(Cc1ccc(F)cc1F)OC2=O
• InChI: InChI=1S/C19H14F3N3O3.C18H13F2N3O3.C18H14FN3O3.C17H10BrF2N3O3/c1-9-6-7-12(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;1-8-2-5-12(25-8)15-14-16(23-18(21)22-15)13(26-17(14)24)6-9-3-4-10(19)7-11(9)20;1-9-6-7-12(24-9)15-14-16(22-18(20)21-15)13(25-17(14)23)8-10-4-2-3-5-11(10)19;18-12-4-3-10(25-12)14-13-15(23-17(21)22-14)11(26-16(13)24)5-7-1-2-8(19)6-9(7)20/h2-7,13H,8H2,1H3,(H2,23,24,25);2-5,7,13H,6H2,1H3,(H2,21,22,23);2-7,13H,8H2,1H3,(H2,20,21,22);1-4,6,11H,5H2,(H2,21,22,23)
• InChIKey: AHJAYWLAIPHERU-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 364.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1508.16
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The IUPAC name of 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (CID 157115579) is 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

What is the SMILES notation for 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The canonical SMILES for 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccc(F)cc2F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2F)o1.Nc1nc(-c2ccc(Br)o2)c2c(n1)C(Cc1ccc(F)cc1F)OC2=O.

What is the InChIKey of 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The InChIKey is AHJAYWLAIPHERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3.C18H13F2N3O3.C18H14FN3O3.C17H10BrF2N3O3/c1-9-6-7-12(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;1-8-2-5-12(25-8)15-14-16(23-18(21)22-15)13(26-17(14)24)6-9-3-4-10(19)7-11(9)20;1-9-6-7-12(24-9)15-14-16(22-18(20)21-15)13(25-17(14)23)8-10-4-2-3-5-11(10)19;18-12-4-3-10(25-12)14-13-15(23-17(21)22-14)11(26-16(13)24)5-7-1-2-8(19)6-9(7)20/h2-7,13H,8H2,1H3,(H2,23,24,25);2-5,7,13H,6H2,1H3,(H2,21,22,23);2-7,13H,8H2,1H3,(H2,20,21,22);1-4,6,11H,5H2,(H2,21,22,23).

What are the key properties of 2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 1508.16 g/mol, XLogP of 14.49, 12 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-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 157115579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).