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

C93H73F11N20O11 — CID 158306007

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

bis(2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one);(7Z)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)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-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 158306007) has the molecular formula C93H73F11N20O11 and a molecular weight of 1855.71 g/mol. Its IUPAC name is bis(2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one);(7Z)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)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-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: bis(2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one);(7Z)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)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-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
• PubChem CID: 158306007
• Molecular Formula: C93H73F11N20O11
• Molecular Weight: 1855.71 g/mol
• Exact Mass: 1854.56
• IUPAC Name: bis(2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one);(7Z)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)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-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
• SMILES: CN1C(=O)c2c(-c3ccco3)nc(N)nc2C1Cc1ccc(F)cc1F.CN1C(=O)c2c(-c3ccco3)nc(N)nc2C1Cc1ccc(F)cc1F.CN1C(=O)c2c(-c3ccco3)nc(N)nc2C1Cc1ccccc1OC(F)(F)F.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)/C3=C\c2ccc(F)cc2F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccc(F)cc2F)o1
• InChI: InChI=1S/C19H15F3N4O3.C19H16F2N4O2.C19H14F2N4O2.2C18H14F2N4O2/c1-26-11(9-10-5-2-3-6-12(10)29-19(20,21)22)15-14(17(26)27)16(25-18(23)24-15)13-7-4-8-28-13;2*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;2*1-24-12(7-9-4-5-10(19)8-11(9)20)15-14(17(24)25)16(23-18(21)22-15)13-3-2-6-26-13/h2-8,11H,9H2,1H3,(H2,23,24,25);3-6,8,13H,7H2,1-2H3,(H2,22,23,24);3-8H,1-2H3,(H2,22,23,24);2*2-6,8,12H,7H2,1H3,(H2,21,22,23)/b;;13-7-
• InChIKey: GNBYBNXJEIVQQT-NRMWQUKSSA-N
• XLogP: 16.28
• TPSA: 435.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.71
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of bis(2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one);(7Z)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)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-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 158306007) is bis(2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one);(7Z)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)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-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one.

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

The canonical SMILES for bis(2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one);(7Z)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)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-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one is CN1C(=O)c2c(-c3ccco3)nc(N)nc2C1Cc1ccc(F)cc1F.CN1C(=O)c2c(-c3ccco3)nc(N)nc2C1Cc1ccc(F)cc1F.CN1C(=O)c2c(-c3ccco3)nc(N)nc2C1Cc1ccccc1OC(F)(F)F.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)/C3=C\c2ccc(F)cc2F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccc(F)cc2F)o1.

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

The InChIKey is GNBYBNXJEIVQQT-NRMWQUKSSA-N. The full InChI is InChI=1S/C19H15F3N4O3.C19H16F2N4O2.C19H14F2N4O2.2C18H14F2N4O2/c1-26-11(9-10-5-2-3-6-12(10)29-19(20,21)22)15-14(17(26)27)16(25-18(23)24-15)13-7-4-8-28-13;2*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;2*1-24-12(7-9-4-5-10(19)8-11(9)20)15-14(17(24)25)16(23-18(21)22-15)13-3-2-6-26-13/h2-8,11H,9H2,1H3,(H2,23,24,25);3-6,8,13H,7H2,1-2H3,(H2,22,23,24);3-8H,1-2H3,(H2,22,23,24);2*2-6,8,12H,7H2,1H3,(H2,21,22,23)/b;;13-7-;;.

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

bis(2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one);(7Z)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)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-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 1855.71 g/mol, XLogP of 16.28, 15 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one);(7Z)-2-amino-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)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-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 158306007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).