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

C68H38Cl8F2N8O12 — CID 159688498

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

2-chloro-7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 159688498) has the molecular formula C68H38Cl8F2N8O12 and a molecular weight of 1480.72 g/mol. Its IUPAC name is 2-chloro-7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-chloro-7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
• PubChem CID: 159688498
• Molecular Formula: C68H38Cl8F2N8O12
• Molecular Weight: 1480.72 g/mol
• Exact Mass: 1476.01
• IUPAC Name: 2-chloro-7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
• SMILES: O=C1OC(Cc2ccc(Cl)c(F)c2)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2ccc(Cl)cc2)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2ccc(F)cc2Cl)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2ccccc2Cl)c2nc(Cl)nc(-c3ccco3)c21
• InChI: InChI=1S/2C17H9Cl2FN2O3.2C17H10Cl2N2O3/c18-10-7-9(20)4-3-8(10)6-12-15-13(16(23)25-12)14(21-17(19)22-15)11-2-1-5-24-11;18-9-4-3-8(6-10(9)20)7-12-15-13(16(23)25-12)14(21-17(19)22-15)11-2-1-5-24-11;18-10-5-3-9(4-6-10)8-12-15-13(16(22)24-12)14(20-17(19)21-15)11-2-1-7-23-11;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/h1-5,7,12H,6H2;1-6,12H,7H2;2*1-7,12H,8H2
• InChIKey: MWCMSLSUCUEVJG-UHFFFAOYSA-N
• XLogP: 18.27
• TPSA: 260.88 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.72
LogP ≤ 5	18.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?

The IUPAC name of 2-chloro-7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (CID 159688498) is 2-chloro-7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.

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

The canonical SMILES for 2-chloro-7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is O=C1OC(Cc2ccc(Cl)c(F)c2)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2ccc(Cl)cc2)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2ccc(F)cc2Cl)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2ccccc2Cl)c2nc(Cl)nc(-c3ccco3)c21.

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

The InChIKey is MWCMSLSUCUEVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H9Cl2FN2O3.2C17H10Cl2N2O3/c18-10-7-9(20)4-3-8(10)6-12-15-13(16(23)25-12)14(21-17(19)22-15)11-2-1-5-24-11;18-9-4-3-8(6-10(9)20)7-12-15-13(16(23)25-12)14(21-17(19)22-15)11-2-1-5-24-11;18-10-5-3-9(4-6-10)8-12-15-13(16(22)24-12)14(20-17(19)21-15)11-2-1-7-23-11;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/h1-5,7,12H,6H2;1-6,12H,7H2;2*1-7,12H,8H2.

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

2-chloro-7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 1480.72 g/mol, XLogP of 18.27, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 159688498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).