2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

C55H35Cl3F6N6O9 — CID 159547159

About 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 159547159) has the molecular formula C55H35Cl3F6N6O9 and a molecular weight of 1144.26 g/mol. Its IUPAC name is 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
• PubChem CID: 159547159
• Molecular Formula: C55H35Cl3F6N6O9
• Molecular Weight: 1144.26 g/mol
• Exact Mass: 1142.14
• IUPAC Name: 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
• SMILES: Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccc(F)cc2F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccccc2F)o1
• InChI: InChI=1S/C19H12ClF3N2O3.C18H11ClF2N2O3.C18H12ClFN2O3/c1-9-6-7-12(27-9)15-14-16(25-18(20)24-15)13(28-17(14)26)8-10-4-2-3-5-11(10)19(21,22)23;1-8-2-5-12(25-8)15-14-16(23-18(19)22-15)13(26-17(14)24)6-9-3-4-10(20)7-11(9)21;1-9-6-7-12(24-9)15-14-16(22-18(19)21-15)13(25-17(14)23)8-10-4-2-3-5-11(10)20/h2-7,13H,8H2,1H3;2-5,7,13H,6H2,1H3;2-7,13H,8H2,1H3
• InChIKey: MEYGGRYUWFMRSP-UHFFFAOYSA-N
• XLogP: 13.89
• TPSA: 195.66 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1144.26
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?

The IUPAC name of 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (CID 159547159) is 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

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

The canonical SMILES for 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccc(F)cc2F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccccc2F)o1.

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

The InChIKey is MEYGGRYUWFMRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O3.C18H11ClF2N2O3.C18H12ClFN2O3/c1-9-6-7-12(27-9)15-14-16(25-18(20)24-15)13(28-17(14)26)8-10-4-2-3-5-11(10)19(21,22)23;1-8-2-5-12(25-8)15-14-16(23-18(19)22-15)13(26-17(14)24)6-9-3-4-10(20)7-11(9)21;1-9-6-7-12(24-9)15-14-16(22-18(19)21-15)13(25-17(14)23)8-10-4-2-3-5-11(10)20/h2-7,13H,8H2,1H3;2-5,7,13H,6H2,1H3;2-7,13H,8H2,1H3.

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

2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 1144.26 g/mol, XLogP of 13.89, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 159547159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).