6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one

C105H125N43O6 — CID 157064389

About 6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one

6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one (PubChem CID 157064389) has the molecular formula C105H125N43O6 and a molecular weight of 2085.45 g/mol. Its IUPAC name is 6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one.

Molecular Properties

• Compound Name: 6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one
• PubChem CID: 157064389
• Molecular Formula: C105H125N43O6
• Molecular Weight: 2085.45 g/mol
• Exact Mass: 2084.08
• IUPAC Name: 6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one
• SMILES: CCCCCc1cnc(Cn2c(=O)[nH]c3c(N)nc(C)nc32)cn1.Cc1nc(N)c2[nH]c(=O)n(Cc3cnc(CCC(C)C)cn3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3cnc(CCC4CC4)cn3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3cnc(CCCC4CCC4)cn3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3cnc(CCCc4ccccc4)cn3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3cnc(CCCc4ccncc4)cn3)c2n1
• InChI: InChI=1S/C20H21N7O.C19H20N8O.C18H23N7O.C16H19N7O.2C16H21N7O/c1-13-24-18(21)17-19(25-13)27(20(28)26-17)12-16-11-22-15(10-23-16)9-5-8-14-6-3-2-4-7-14;1-12-24-17(20)16-18(25-12)27(19(28)26-16)11-15-10-22-14(9-23-15)4-2-3-13-5-7-21-8-6-13;1-11-22-16(19)15-17(23-11)25(18(26)24-15)10-14-9-20-13(8-21-14)7-3-6-12-4-2-5-12;1-9-20-14(17)13-15(21-9)23(16(24)22-13)8-12-7-18-11(6-19-12)5-4-10-2-3-10;1-9(2)4-5-11-6-19-12(7-18-11)8-23-15-13(22-16(23)24)14(17)20-10(3)21-15;1-3-4-5-6-11-7-19-12(8-18-11)9-23-15-13(22-16(23)24)14(17)20-10(2)21-15/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,26,28)(H2,21,24,25);5-10H,2-4,11H2,1H3,(H,26,28)(H2,20,24,25);8-9,12H,2-7,10H2,1H3,(H,24,26)(H2,19,22,23);6-7,10H,2-5,8H2,1H3,(H,22,24)(H2,17,20,21);6-7,9H,4-5,8H2,1-3H3,(H,22,24)(H2,17,20,21);7-8H,3-6,9H2,1-2H3,(H,22,24)(H2,17,20,21)
• InChIKey: ABRXVWXVZZIORY-UHFFFAOYSA-N
• XLogP: 9.62
• TPSA: 705.11 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 43
• Rotatable Bonds: 34
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.45
LogP ≤ 5	9.62
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	43

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-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one?

The IUPAC name of 6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one (CID 157064389) is 6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one.

What is the SMILES notation for 6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one?

The canonical SMILES for 6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one is CCCCCc1cnc(Cn2c(=O)[nH]c3c(N)nc(C)nc32)cn1.Cc1nc(N)c2[nH]c(=O)n(Cc3cnc(CCC(C)C)cn3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3cnc(CCC4CC4)cn3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3cnc(CCCC4CCC4)cn3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3cnc(CCCc4ccccc4)cn3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3cnc(CCCc4ccncc4)cn3)c2n1.

What is the InChIKey of 6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one?

The InChIKey is ABRXVWXVZZIORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O.C19H20N8O.C18H23N7O.C16H19N7O.2C16H21N7O/c1-13-24-18(21)17-19(25-13)27(20(28)26-17)12-16-11-22-15(10-23-16)9-5-8-14-6-3-2-4-7-14;1-12-24-17(20)16-18(25-12)27(19(28)26-16)11-15-10-22-14(9-23-15)4-2-3-13-5-7-21-8-6-13;1-11-22-16(19)15-17(23-11)25(18(26)24-15)10-14-9-20-13(8-21-14)7-3-6-12-4-2-5-12;1-9-20-14(17)13-15(21-9)23(16(24)22-13)8-12-7-18-11(6-19-12)5-4-10-2-3-10;1-9(2)4-5-11-6-19-12(7-18-11)8-23-15-13(22-16(23)24)14(17)20-10(3)21-15;1-3-4-5-6-11-7-19-12(8-18-11)9-23-15-13(22-16(23)24)14(17)20-10(2)21-15/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,26,28)(H2,21,24,25);5-10H,2-4,11H2,1H3,(H,26,28)(H2,20,24,25);8-9,12H,2-7,10H2,1H3,(H,24,26)(H2,19,22,23);6-7,10H,2-5,8H2,1H3,(H,22,24)(H2,17,20,21);6-7,9H,4-5,8H2,1-3H3,(H,22,24)(H2,17,20,21);7-8H,3-6,9H2,1-2H3,(H,22,24)(H2,17,20,21).

What are the key properties of 6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one?

6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one has a molecular weight of 2085.45 g/mol, XLogP of 9.62, 34 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-9-[[5-(3-cyclobutylpropyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(2-cyclopropylethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-methylbutyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[(5-pentylpyrazin-2-yl)methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-phenylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[5-(3-pyridin-4-ylpropyl)pyrazin-2-yl]methyl]-7H-purin-8-one is sourced from PubChem (CID 157064389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).