2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

C71H51F6N13O13 — CID 159336228

About 2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 159336228) has the molecular formula C71H51F6N13O13 and a molecular weight of 1408.25 g/mol. Its IUPAC name is 2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
• PubChem CID: 159336228
• Molecular Formula: C71H51F6N13O13
• Molecular Weight: 1408.25 g/mol
• Exact Mass: 1407.36
• IUPAC Name: 2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
• SMILES: COc1ccc(CC2OC(=O)c3c(-c4ccco4)nc(N)nc32)cc1.Nc1nc(-c2ccccn2)c2c(n1)C(Cc1ccccc1F)OC2=O.Nc1nc(-c2ccco2)c2c(n1)C(Cc1c(F)cccc1F)OC2=O.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1OC(F)(F)F)OC2=O
• InChI: InChI=1S/C18H12F3N3O4.C18H13FN4O2.C18H15N3O4.C17H11F2N3O3/c19-18(20,21)28-10-5-2-1-4-9(10)8-12-15-13(16(25)27-12)14(23-17(22)24-15)11-6-3-7-26-11;19-11-6-2-1-5-10(11)9-13-16-14(17(24)25-13)15(22-18(20)23-16)12-7-3-4-8-21-12;1-23-11-6-4-10(5-7-11)9-13-16-14(17(22)25-13)15(20-18(19)21-16)12-3-2-8-24-12;18-9-3-1-4-10(19)8(9)7-12-15-13(16(23)25-12)14(21-17(20)22-15)11-5-2-6-24-11/h1-7,12H,8H2,(H2,22,23,24);1-8,13H,9H2,(H2,20,22,23);2-8,13H,9H2,1H3,(H2,19,20,21);1-6,12H,7H2,(H2,20,21,22)
• InChIKey: LFOMGGIFQCOMQJ-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 383.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1408.25
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The IUPAC name of 2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (CID 159336228) is 2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

What is the SMILES notation for 2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The canonical SMILES for 2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is COc1ccc(CC2OC(=O)c3c(-c4ccco4)nc(N)nc32)cc1.Nc1nc(-c2ccccn2)c2c(n1)C(Cc1ccccc1F)OC2=O.Nc1nc(-c2ccco2)c2c(n1)C(Cc1c(F)cccc1F)OC2=O.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1OC(F)(F)F)OC2=O.

What is the InChIKey of 2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The InChIKey is LFOMGGIFQCOMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O4.C18H13FN4O2.C18H15N3O4.C17H11F2N3O3/c19-18(20,21)28-10-5-2-1-4-9(10)8-12-15-13(16(25)27-12)14(23-17(22)24-15)11-6-3-7-26-11;19-11-6-2-1-5-10(11)9-13-16-14(17(24)25-13)15(22-18(20)23-16)12-7-3-4-8-21-12;1-23-11-6-4-10(5-7-11)9-13-16-14(17(22)25-13)15(20-18(19)21-16)12-3-2-8-24-12;18-9-3-1-4-10(19)8(9)7-12-15-13(16(23)25-12)14(21-17(20)22-15)11-5-2-6-24-11/h1-7,12H,8H2,(H2,22,23,24);1-8,13H,9H2,(H2,20,22,23);2-8,13H,9H2,1H3,(H2,19,20,21);1-6,12H,7H2,(H2,20,21,22).

What are the key properties of 2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 1408.25 g/mol, XLogP of 12.22, 14 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 159336228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).