2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one

C78H67F9N16O9 — CID 159337934

About 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one

2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 159337934) has the molecular formula C78H67F9N16O9 and a molecular weight of 1543.48 g/mol. Its IUPAC name is 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
• PubChem CID: 159337934
• Molecular Formula: C78H67F9N16O9
• Molecular Weight: 1543.48 g/mol
• Exact Mass: 1542.51
• IUPAC Name: 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
• SMILES: Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccc(F)cc2F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccccc2C(F)(F)F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccccc2F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccccc2OC(F)(F)F)o1
• InChI: InChI=1S/C20H17F3N4O3.C20H17F3N4O2.C19H16F2N4O2.C19H17FN4O2/c1-10-7-8-14(29-10)17-15-16(25-19(24)26-17)12(27(2)18(15)28)9-11-5-3-4-6-13(11)30-20(21,22)23;1-10-7-8-14(29-10)17-15-16(25-19(24)26-17)13(27(2)18(15)28)9-11-5-3-4-6-12(11)20(21,22)23;1-9-3-6-14(27-9)17-15-16(23-19(22)24-17)13(25(2)18(15)26)7-10-4-5-11(20)8-12(10)21;1-10-7-8-14(26-10)17-15-16(22-19(21)23-17)13(24(2)18(15)25)9-11-5-3-4-6-12(11)20/h3-8,12H,9H2,1-2H3,(H2,24,25,26);3-8,13H,9H2,1-2H3,(H2,24,25,26);3-6,8,13H,7H2,1-2H3,(H2,22,23,24);3-8,13H,9H2,1-2H3,(H2,21,22,23)
• InChIKey: LFTXIHTUUWQGTP-UHFFFAOYSA-N
• XLogP: 14.32
• TPSA: 350.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1543.48
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one?

The IUPAC name of 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 159337934) is 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one.

What is the SMILES notation for 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one?

The canonical SMILES for 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccc(F)cc2F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccccc2C(F)(F)F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccccc2F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccccc2OC(F)(F)F)o1.

What is the InChIKey of 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one?

The InChIKey is LFTXIHTUUWQGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3.C20H17F3N4O2.C19H16F2N4O2.C19H17FN4O2/c1-10-7-8-14(29-10)17-15-16(25-19(24)26-17)12(27(2)18(15)28)9-11-5-3-4-6-13(11)30-20(21,22)23;1-10-7-8-14(29-10)17-15-16(25-19(24)26-17)13(27(2)18(15)28)9-11-5-3-4-6-12(11)20(21,22)23;1-9-3-6-14(27-9)17-15-16(23-19(22)24-17)13(25(2)18(15)26)7-10-4-5-11(20)8-12(10)21;1-10-7-8-14(26-10)17-15-16(22-19(21)23-17)13(24(2)18(15)25)9-11-5-3-4-6-12(11)20/h3-8,12H,9H2,1-2H3,(H2,24,25,26);3-8,13H,9H2,1-2H3,(H2,24,25,26);3-6,8,13H,7H2,1-2H3,(H2,22,23,24);3-8,13H,9H2,1-2H3,(H2,21,22,23).

What are the key properties of 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one?

2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 1543.48 g/mol, XLogP of 14.32, 13 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[(2,4-difluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 159337934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).