2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

C89H66Cl2F5N15O15 — CID 157454659

About 2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 157454659) has the molecular formula C89H66Cl2F5N15O15 and a molecular weight of 1751.49 g/mol. Its IUPAC name is 2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
• PubChem CID: 157454659
• Molecular Formula: C89H66Cl2F5N15O15
• Molecular Weight: 1751.49 g/mol
• Exact Mass: 1749.42
• IUPAC Name: 2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
• SMILES: Cc1cc(C)cc(CC2OC(=O)c3c(-c4ccco4)nc(N)nc32)c1.Cc1ccccc1CC1OC(=O)c2c(-c3ccco3)nc(N)nc21.Nc1nc(-c2ccco2)c2c(n1)C(Cc1c(F)cccc1Cl)OC2=O.Nc1nc(-c2ccco2)c2c(n1)C(Cc1cccc(Cl)c1F)OC2=O.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1C(F)(F)F)OC2=O
• InChI: InChI=1S/C19H17N3O3.C18H12F3N3O3.C18H15N3O3.2C17H11ClFN3O3/c1-10-6-11(2)8-12(7-10)9-14-17-15(18(23)25-14)16(21-19(20)22-17)13-4-3-5-24-13;19-18(20,21)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;1-10-5-2-3-6-11(10)9-13-16-14(17(22)24-13)15(20-18(19)21-16)12-7-4-8-23-12;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;18-9-4-1-3-8(13(9)19)7-11-15-12(16(23)25-11)14(21-17(20)22-15)10-5-2-6-24-10/h3-8,14H,9H2,1-2H3,(H2,20,21,22);1-7,12H,8H2,(H2,22,23,24);2-8,13H,9H2,1H3,(H2,19,20,21);1-6,12H,7H2,(H2,20,21,22);1-6,11H,7H2,(H2,20,21,22)
• InChIKey: BTFFDIMMHBQFSA-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 456.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.49
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

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-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The IUPAC name of 2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (CID 157454659) is 2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

What is the SMILES notation for 2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The canonical SMILES for 2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is Cc1cc(C)cc(CC2OC(=O)c3c(-c4ccco4)nc(N)nc32)c1.Cc1ccccc1CC1OC(=O)c2c(-c3ccco3)nc(N)nc21.Nc1nc(-c2ccco2)c2c(n1)C(Cc1c(F)cccc1Cl)OC2=O.Nc1nc(-c2ccco2)c2c(n1)C(Cc1cccc(Cl)c1F)OC2=O.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1C(F)(F)F)OC2=O.

What is the InChIKey of 2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The InChIKey is BTFFDIMMHBQFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3.C18H12F3N3O3.C18H15N3O3.2C17H11ClFN3O3/c1-10-6-11(2)8-12(7-10)9-14-17-15(18(23)25-14)16(21-19(20)22-17)13-4-3-5-24-13;19-18(20,21)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;1-10-5-2-3-6-11(10)9-13-16-14(17(22)24-13)15(20-18(19)21-16)12-7-4-8-23-12;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;18-9-4-1-3-8(13(9)19)7-11-15-12(16(23)25-11)14(21-17(20)22-15)10-5-2-6-24-10/h3-8,14H,9H2,1-2H3,(H2,20,21,22);1-7,12H,8H2,(H2,22,23,24);2-8,13H,9H2,1H3,(H2,19,20,21);1-6,12H,7H2,(H2,20,21,22);1-6,11H,7H2,(H2,20,21,22).

What are the key properties of 2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 1751.49 g/mol, XLogP of 17.39, 15 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 157454659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).