methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine

C105H142N40OS5 — CID 158422173

About methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine

methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine (PubChem CID 158422173) has the molecular formula C105H142N40OS5 and a molecular weight of 2140.90 g/mol. Its IUPAC name is methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine.

Molecular Properties

• Compound Name: methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine
• PubChem CID: 158422173
• Molecular Formula: C105H142N40OS5
• Molecular Weight: 2140.90 g/mol
• Exact Mass: 2139.09
• IUPAC Name: methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine
• SMILES: C.CC(C)CNCCn1c(Sc2cc3cnccn3c2C(C)C)nc2c(N)ncnc21.CC(C)CNCCn1c(Sc2nc3ccccn3c2C(C)C)nc2c(N)ncnc21.CC(C)CNCCn1c(Sc2nc3ccncc3n2C(C)C)nc2c(N)ncnc21.CC(C)CNCCn1c(Sc2nc3cnccc3n2C(C)C)nc2c(N)ncnc21.CC(C)CNCCn1c(Sc2oc3ccccc3c2C(C)C)nc2c(N)ncnc21
• InChI: InChI=1S/C22H28N6OS.2C21H28N8S.2C20H27N9S.CH4/c1-13(2)11-24-9-10-28-20-18(19(23)25-12-26-20)27-22(28)30-21-17(14(3)4)15-7-5-6-8-16(15)29-21;1-13(2)10-23-6-8-29-20-17(19(22)25-12-26-20)27-21(29)30-16-9-15-11-24-5-7-28(15)18(16)14(3)4;1-13(2)11-23-8-10-29-19-16(18(22)24-12-25-19)27-21(29)30-20-17(14(3)4)28-9-6-5-7-15(28)26-20;1-12(2)9-23-7-8-28-18-16(17(21)24-11-25-18)27-19(28)30-20-26-14-10-22-6-5-15(14)29(20)13(3)4;1-12(2)9-23-7-8-28-18-16(17(21)24-11-25-18)27-19(28)30-20-26-14-5-6-22-10-15(14)29(20)13(3)4;/h5-8,12-14,24H,9-11H2,1-4H3,(H2,23,25,26);5,7,9,11-14,23H,6,8,10H2,1-4H3,(H2,22,25,26);5-7,9,12-14,23H,8,10-11H2,1-4H3,(H2,22,24,25);2*5-6,10-13,23H,7-9H2,1-4H3,(H2,21,24,25);1H4
• InChIKey: HAPSZKLNPFUNQP-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 517.41 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 40
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2140.90
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine?

The IUPAC name of methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine (CID 158422173) is methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine.

What is the SMILES notation for methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine?

The canonical SMILES for methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine is C.CC(C)CNCCn1c(Sc2cc3cnccn3c2C(C)C)nc2c(N)ncnc21.CC(C)CNCCn1c(Sc2nc3ccccn3c2C(C)C)nc2c(N)ncnc21.CC(C)CNCCn1c(Sc2nc3ccncc3n2C(C)C)nc2c(N)ncnc21.CC(C)CNCCn1c(Sc2nc3cnccc3n2C(C)C)nc2c(N)ncnc21.CC(C)CNCCn1c(Sc2oc3ccccc3c2C(C)C)nc2c(N)ncnc21.

What is the InChIKey of methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine?

The InChIKey is HAPSZKLNPFUNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS.2C21H28N8S.2C20H27N9S.CH4/c1-13(2)11-24-9-10-28-20-18(19(23)25-12-26-20)27-22(28)30-21-17(14(3)4)15-7-5-6-8-16(15)29-21;1-13(2)10-23-6-8-29-20-17(19(22)25-12-26-20)27-21(29)30-16-9-15-11-24-5-7-28(15)18(16)14(3)4;1-13(2)11-23-8-10-29-19-16(18(22)24-12-25-19)27-21(29)30-20-17(14(3)4)28-9-6-5-7-15(28)26-20;1-12(2)9-23-7-8-28-18-16(17(21)24-11-25-18)27-19(28)30-20-26-14-10-22-6-5-15(14)29(20)13(3)4;1-12(2)9-23-7-8-28-18-16(17(21)24-11-25-18)27-19(28)30-20-26-14-5-6-22-10-15(14)29(20)13(3)4;/h5-8,12-14,24H,9-11H2,1-4H3,(H2,23,25,26);5,7,9,11-14,23H,6,8,10H2,1-4H3,(H2,22,25,26);5-7,9,12-14,23H,8,10-11H2,1-4H3,(H2,22,24,25);2*5-6,10-13,23H,7-9H2,1-4H3,(H2,21,24,25);1H4.

What are the key properties of methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine?

methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine has a molecular weight of 2140.90 g/mol, XLogP of 18.73, 40 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for methane;9-[2-(2-methylpropylamino)ethyl]-8-[(3-propan-2-yl-1-benzofuran-2-yl)sulfanyl]purin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)sulfanylpurin-6-amine;9-[2-(2-methylpropylamino)ethyl]-8-(6-propan-2-ylpyrrolo[1,2-a]pyrazin-7-yl)sulfanylpurin-6-amine is sourced from PubChem (CID 158422173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).