2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide

C₈₈H₆₇Cl₂FN₁₆O₁₈S — CID 159983039

About 2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide

2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide (PubChem CID 159983039) has the molecular formula C₈₈H₆₇Cl₂FN₁₆O₁₈S and a molecular weight of 1758.57 g/mol. Its IUPAC name is 2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide
• PubChem CID: 159983039
• Molecular Formula: C₈₈H₆₇Cl₂FN₁₆O₁₈S
• Molecular Weight: 1758.57 g/mol
• Exact Mass: 1756.39
• IUPAC Name: 2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide
• SMILES: CS(=O)(=O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(N)nc32)cc1.Cc1ccc(CC2OC(=O)c3c(-c4ccco4)nc(N)nc32)cc1.NC(=O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(N)nc32)cc1.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccc(Cl)c(F)c1)OC2=O.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1Cl)OC2=O
• InChI: InChI=1S/C18H14N4O4.C18H15N3O5S.C18H15N3O3.C17H11ClFN3O3.C17H12ClN3O3/c19-16(23)10-5-3-9(4-6-10)8-12-15-13(17(24)26-12)14(21-18(20)22-15)11-2-1-7-25-11;1-27(23,24)11-6-4-10(5-7-11)9-13-16-14(17(22)26-13)15(20-18(19)21-16)12-3-2-8-25-12;1-10-4-6-11(7-5-10)9-13-16-14(17(22)24-13)15(20-18(19)21-16)12-3-2-8-23-12;18-9-4-3-8(6-10(9)19)7-12-15-13(16(23)25-12)14(21-17(20)22-15)11-2-1-5-24-11;18-10-5-2-1-4-9(10)8-12-15-13(16(22)24-12)14(20-17(19)21-15)11-6-3-7-23-11/h1-7,12H,8H2,(H2,19,23)(H2,20,21,22);2-8,13H,9H2,1H3,(H2,19,20,21);2-8,13H,9H2,1H3,(H2,19,20,21);1-6,12H,7H2,(H2,20,21,22);1-7,12H,8H2,(H2,19,20,21)
• InChIKey: OGAAFJQFPBYUDE-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 533.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1758.57
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

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-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide?

The IUPAC name of 2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide (CID 159983039) is 2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide.

What is the SMILES notation for 2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide?

The canonical SMILES for 2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide is CS(=O)(=O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(N)nc32)cc1.Cc1ccc(CC2OC(=O)c3c(-c4ccco4)nc(N)nc32)cc1.NC(=O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(N)nc32)cc1.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccc(Cl)c(F)c1)OC2=O.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1Cl)OC2=O.

What is the InChIKey of 2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide?

The InChIKey is OGAAFJQFPBYUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4.C18H15N3O5S.C18H15N3O3.C17H11ClFN3O3.C17H12ClN3O3/c19-16(23)10-5-3-9(4-6-10)8-12-15-13(17(24)26-12)14(21-18(20)22-15)11-2-1-7-25-11;1-27(23,24)11-6-4-10(5-7-11)9-13-16-14(17(22)26-13)15(20-18(19)21-16)12-3-2-8-25-12;1-10-4-6-11(7-5-10)9-13-16-14(17(22)24-13)15(20-18(19)21-16)12-3-2-8-23-12;18-9-4-3-8(6-10(9)19)7-12-15-13(16(23)25-12)14(21-17(20)22-15)11-2-1-5-24-11;18-10-5-2-1-4-9(10)8-12-15-13(16(22)24-12)14(20-17(19)21-15)11-6-3-7-23-11/h1-7,12H,8H2,(H2,19,23)(H2,20,21,22);2-8,13H,9H2,1H3,(H2,19,20,21);2-8,13H,9H2,1H3,(H2,19,20,21);1-6,12H,7H2,(H2,20,21,22);1-7,12H,8H2,(H2,19,20,21).

What are the key properties of 2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide?

2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide has a molecular weight of 1758.57 g/mol, XLogP of 14.12, 17 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-[[2-amino-4-(furan-2-yl)-5-oxo-7H-furo[3,4-d]pyrimidin-7-yl]methyl]benzamide is sourced from PubChem (CID 159983039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159983039 — identifiers, structure, computed properties (public domain)

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