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

C68H40Cl5F3N8O12 — CID 159135823

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

7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;(7R)-7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 159135823) has the molecular formula C68H40Cl5F3N8O12 and a molecular weight of 1395.37 g/mol. Its IUPAC name is 7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;(7R)-7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;(7R)-7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
• PubChem CID: 159135823
• Molecular Formula: C68H40Cl5F3N8O12
• Molecular Weight: 1395.37 g/mol
• Exact Mass: 1392.12
• IUPAC Name: 7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;(7R)-7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
• SMILES: O=C1OC(Cc2ccc(F)c(Cl)c2)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2ccc(F)cc2F)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2ccccc2)c2nc(Cl)nc(-c3ccco3)c21.O=C1O[C@H](Cc2ccccc2)c2nc(Cl)nc(-c3ccco3)c21
• InChI: InChI=1S/C17H9Cl2FN2O3.C17H9ClF2N2O3.2C17H11ClN2O3/c18-9-6-8(3-4-10(9)20)7-12-15-13(16(23)25-12)14(21-17(19)22-15)11-2-1-5-24-11;18-17-21-14(11-2-1-5-24-11)13-15(22-17)12(25-16(13)23)6-8-3-4-9(19)7-10(8)20;2*18-17-19-14(11-7-4-8-22-11)13-15(20-17)12(23-16(13)21)9-10-5-2-1-3-6-10/h1-6,12H,7H2;1-5,7,12H,6H2;2*1-8,12H,9H2/t;;12-;/m..1./s1
• InChIKey: KHMAVVACJLOJEJ-VRUFBCDNSA-N
• XLogP: 16.45
• TPSA: 260.88 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1395.37
LogP ≤ 5	16.45
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 7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;(7R)-7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?

The IUPAC name of 7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;(7R)-7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (CID 159135823) is 7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;(7R)-7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.

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

The canonical SMILES for 7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;(7R)-7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is O=C1OC(Cc2ccc(F)c(Cl)c2)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2ccc(F)cc2F)c2nc(Cl)nc(-c3ccco3)c21.O=C1OC(Cc2ccccc2)c2nc(Cl)nc(-c3ccco3)c21.O=C1O[C@H](Cc2ccccc2)c2nc(Cl)nc(-c3ccco3)c21.

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

The InChIKey is KHMAVVACJLOJEJ-VRUFBCDNSA-N. The full InChI is InChI=1S/C17H9Cl2FN2O3.C17H9ClF2N2O3.2C17H11ClN2O3/c18-9-6-8(3-4-10(9)20)7-12-15-13(16(23)25-12)14(21-17(19)22-15)11-2-1-5-24-11;18-17-21-14(11-2-1-5-24-11)13-15(22-17)12(25-16(13)23)6-8-3-4-9(19)7-10(8)20;2*18-17-19-14(11-7-4-8-22-11)13-15(20-17)12(23-16(13)21)9-10-5-2-1-3-6-10/h1-6,12H,7H2;1-5,7,12H,6H2;2*1-8,12H,9H2/t;;12-;/m..1./s1.

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

7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;(7R)-7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 1395.37 g/mol, XLogP of 16.45, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;(7R)-7-benzyl-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 159135823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).