6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one

C124H151N49O8 — CID 157445659

About 6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one

6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one (PubChem CID 157445659) has the molecular formula C124H151N49O8 and a molecular weight of 2455.91 g/mol. Its IUPAC name is 6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one.

Molecular Properties

• Compound Name: 6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one
• PubChem CID: 157445659
• Molecular Formula: C124H151N49O8
• Molecular Weight: 2455.91 g/mol
• Exact Mass: 2454.29
• IUPAC Name: 6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one
• SMILES: CCCCNCc1ccc(Cn2c(=O)[nH]c3c(N)nc(C)nc32)nc1.CCCCNCc1ccc(Cn2c(=O)[nH]c3c(N)nc(C)nc32)nc1.COCCNCc1ccc(Cn2c(=O)[nH]c3c(N)nc(C)nc32)nc1.Cc1ccc(CNCc2ccc(Cn3c(=O)[nH]c4c(N)nc(C)nc43)nc2)cc1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(CNC4CC4)cn3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(CNC4CCC4)cn3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(CNCc4ccccc4)cn3)c2n1
• InChI: InChI=1S/C21H23N7O.C20H21N7O.C17H21N7O.2C17H23N7O.C16H21N7O2.C16H19N7O/c1-13-3-5-15(6-4-13)9-23-10-16-7-8-17(24-11-16)12-28-20-18(27-21(28)29)19(22)25-14(2)26-20;1-13-24-18(21)17-19(25-13)27(20(28)26-17)12-16-8-7-15(11-23-16)10-22-9-14-5-3-2-4-6-14;1-10-21-15(18)14-16(22-10)24(17(25)23-14)9-13-6-5-11(8-20-13)7-19-12-3-2-4-12;2*1-3-4-7-19-8-12-5-6-13(20-9-12)10-24-16-14(23-17(24)25)15(18)21-11(2)22-16;1-10-20-14(17)13-15(21-10)23(16(24)22-13)9-12-4-3-11(8-19-12)7-18-5-6-25-2;1-9-20-14(17)13-15(21-9)23(16(24)22-13)8-12-3-2-10(7-19-12)6-18-11-4-5-11/h3-8,11,23H,9-10,12H2,1-2H3,(H,27,29)(H2,22,25,26);2-8,11,22H,9-10,12H2,1H3,(H,26,28)(H2,21,24,25);5-6,8,12,19H,2-4,7,9H2,1H3,(H,23,25)(H2,18,21,22);2*5-6,9,19H,3-4,7-8,10H2,1-2H3,(H,23,25)(H2,18,21,22);3-4,8,18H,5-7,9H2,1-2H3,(H,22,24)(H2,17,20,21);2-3,7,11,18H,4-6,8H2,1H3,(H,22,24)(H2,17,20,21)
• InChIKey: BSEOZNLTKDILHH-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 810.80 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 50
• Rotatable Bonds: 43
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2455.91
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one?

The IUPAC name of 6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one (CID 157445659) is 6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one.

What is the SMILES notation for 6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one?

The canonical SMILES for 6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one is CCCCNCc1ccc(Cn2c(=O)[nH]c3c(N)nc(C)nc32)nc1.CCCCNCc1ccc(Cn2c(=O)[nH]c3c(N)nc(C)nc32)nc1.COCCNCc1ccc(Cn2c(=O)[nH]c3c(N)nc(C)nc32)nc1.Cc1ccc(CNCc2ccc(Cn3c(=O)[nH]c4c(N)nc(C)nc43)nc2)cc1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(CNC4CC4)cn3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(CNC4CCC4)cn3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(CNCc4ccccc4)cn3)c2n1.

What is the InChIKey of 6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one?

The InChIKey is BSEOZNLTKDILHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O.C20H21N7O.C17H21N7O.2C17H23N7O.C16H21N7O2.C16H19N7O/c1-13-3-5-15(6-4-13)9-23-10-16-7-8-17(24-11-16)12-28-20-18(27-21(28)29)19(22)25-14(2)26-20;1-13-24-18(21)17-19(25-13)27(20(28)26-17)12-16-8-7-15(11-23-16)10-22-9-14-5-3-2-4-6-14;1-10-21-15(18)14-16(22-10)24(17(25)23-14)9-13-6-5-11(8-20-13)7-19-12-3-2-4-12;2*1-3-4-7-19-8-12-5-6-13(20-9-12)10-24-16-14(23-17(24)25)15(18)21-11(2)22-16;1-10-20-14(17)13-15(21-10)23(16(24)22-13)9-12-4-3-11(8-19-12)7-18-5-6-25-2;1-9-20-14(17)13-15(21-9)23(16(24)22-13)8-12-3-2-10(7-19-12)6-18-11-4-5-11/h3-8,11,23H,9-10,12H2,1-2H3,(H,27,29)(H2,22,25,26);2-8,11,22H,9-10,12H2,1H3,(H,26,28)(H2,21,24,25);5-6,8,12,19H,2-4,7,9H2,1H3,(H,23,25)(H2,18,21,22);2*5-6,9,19H,3-4,7-8,10H2,1-2H3,(H,23,25)(H2,18,21,22);3-4,8,18H,5-7,9H2,1-2H3,(H,22,24)(H2,17,20,21);2-3,7,11,18H,4-6,8H2,1H3,(H,22,24)(H2,17,20,21).

What are the key properties of 6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one?

6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one has a molecular weight of 2455.91 g/mol, XLogP of 8.47, 43 rotatable bonds, 21 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-9-[[5-[(benzylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-9-[[5-(butylaminomethyl)-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one);6-amino-9-[[5-[(cyclobutylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]methyl]-7H-purin-8-one is sourced from PubChem (CID 157445659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).