2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane

C77H69F10N18O9+ — CID 159344195

About 2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane

2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane (PubChem CID 159344195) has the molecular formula C77H69F10N18O9+ and a molecular weight of 1580.50 g/mol. Its IUPAC name is 2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane.

Molecular Properties

• Compound Name: 2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane
• PubChem CID: 159344195
• Molecular Formula: C77H69F10N18O9+
• Molecular Weight: 1580.50 g/mol
• Exact Mass: 1579.53
• IUPAC Name: 2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane
• SMILES: C.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2cc[n+](O)cc2)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccc(F)cc2C(F)(F)F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccncc2C(F)(F)F)o1.Cc1ccc(-c2nc(N)nc3c2CC(=O)N3Cc2ccccc2C(F)(F)F)o1
• InChI: InChI=1S/C20H16F4N4O2.C19H16F3N5O2.C19H15F3N4O2.C18H17N5O3.CH4/c1-9-3-6-14(30-9)17-15-16(26-19(25)27-17)13(28(2)18(15)29)7-10-4-5-11(21)8-12(10)20(22,23)24;1-9-3-4-13(29-9)16-14-15(25-18(23)26-16)12(27(2)17(14)28)7-10-5-6-24-8-11(10)19(20,21)22;1-10-6-7-14(28-10)16-12-8-15(27)26(17(12)25-18(23)24-16)9-11-4-2-3-5-13(11)19(20,21)22;1-10-3-4-13(26-10)16-14-15(20-18(19)21-16)12(22(2)17(14)24)9-11-5-7-23(25)8-6-11;/h3-6,8,13H,7H2,1-2H3,(H2,25,26,27);3-6,8,12H,7H2,1-2H3,(H2,23,25,26);2-7H,8-9H2,1H3,(H2,23,24,25);3-8,12H,9H2,1-2H3,(H2-,19,20,21,24,25);1H4/p+1
• InChIKey: FDFODYCEVXIMNZ-UHFFFAOYSA-O
• XLogP: 13.46
• TPSA: 378.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1580.50
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane?

The IUPAC name of 2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane (CID 159344195) is 2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane.

What is the SMILES notation for 2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane?

The canonical SMILES for 2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane is C.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2cc[n+](O)cc2)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccc(F)cc2C(F)(F)F)o1.Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccncc2C(F)(F)F)o1.Cc1ccc(-c2nc(N)nc3c2CC(=O)N3Cc2ccccc2C(F)(F)F)o1.

What is the InChIKey of 2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane?

The InChIKey is FDFODYCEVXIMNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H16F4N4O2.C19H16F3N5O2.C19H15F3N4O2.C18H17N5O3.CH4/c1-9-3-6-14(30-9)17-15-16(26-19(25)27-17)13(28(2)18(15)29)7-10-4-5-11(21)8-12(10)20(22,23)24;1-9-3-4-13(29-9)16-14-15(25-18(23)26-16)12(27(2)17(14)28)7-10-5-6-24-8-11(10)19(20,21)22;1-10-6-7-14(28-10)16-12-8-15(27)26(17(12)25-18(23)24-16)9-11-4-2-3-5-13(11)19(20,21)22;1-10-3-4-13(26-10)16-14-15(20-18(19)21-16)12(22(2)17(14)24)9-11-5-7-23(25)8-6-11;/h3-6,8,13H,7H2,1-2H3,(H2,25,26,27);3-6,8,12H,7H2,1-2H3,(H2,23,25,26);2-7H,8-9H2,1H3,(H2,23,24,25);3-8,12H,9H2,1-2H3,(H2-,19,20,21,24,25);1H4/p+1.

What are the key properties of 2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane?

2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane has a molecular weight of 1580.50 g/mol, XLogP of 13.46, 12 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;methane is sourced from PubChem (CID 159344195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).