4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane

C₁₃₇H₁₉₈Cl₂F₃N₃₇O₁₁ — CID 162193271

About 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane

4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane (PubChem CID 162193271) has the molecular formula C₁₃₇H₁₉₈Cl₂F₃N₃₇O₁₁ and a molecular weight of 2667.24 g/mol. Its IUPAC name is 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane.

Molecular Properties

• Compound Name: 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane
• PubChem CID: 162193271
• Molecular Formula: C₁₃₇H₁₉₈Cl₂F₃N₃₇O₁₁
• Molecular Weight: 2667.24 g/mol
• Exact Mass: 2664.54
• IUPAC Name: 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane
• SMILES: C.C.C.C.C.C.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(Cl)cc(CN3CCCC3)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(Cl)c(CN3CCCC3)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC3)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C(C)(C)C(=O)N2.Nc1nc(OCC(F)(F)F)nc2c1NC(=O)CN2Cc1cccc(CN2CCCC2)c1
• InChI: InChI=1S/C24H34N6O2.2C22H29ClN6O2.C22H31N7O.C21H28N6O2.C20H23F3N6O2.6CH4/c1-4-5-13-32-23-27-20(25)19-21(28-23)30(24(2,3)22(31)26-19)16-18-10-8-9-17(14-18)15-29-11-6-7-12-29;1-2-3-10-31-22-26-20(24)19-21(27-22)29(14-18(30)25-19)12-15-6-7-17(23)16(11-15)13-28-8-4-5-9-28;1-2-3-8-31-22-26-20(24)19-21(27-22)29(14-18(30)25-19)13-16-9-15(10-17(23)11-16)12-28-6-4-5-7-28;1-2-3-10-24-22-26-20(23)19-21(27-22)29(15-18(30)25-19)14-17-8-6-16(7-9-17)13-28-11-4-5-12-28;1-2-3-10-29-21-24-19(22)18-20(25-21)27(14-17(28)23-18)13-16-7-4-6-15(11-16)12-26-8-5-9-26;21-20(22,23)12-31-19-26-17(24)16-18(27-19)29(11-15(30)25-16)10-14-5-3-4-13(8-14)9-28-6-1-2-7-28;;;;;;/h8-10,14H,4-7,11-13,15-16H2,1-3H3,(H,26,31)(H2,25,27,28);6-7,11H,2-5,8-10,12-14H2,1H3,(H,25,30)(H2,24,26,27);9-11H,2-8,12-14H2,1H3,(H,25,30)(H2,24,26,27);6-9H,2-5,10-15H2,1H3,(H,25,30)(H3,23,24,26,27);4,6-7,11H,2-3,5,8-10,12-14H2,1H3,(H,23,28)(H2,22,24,25);3-5,8H,1-2,6-7,9-12H2,(H,25,30)(H2,24,26,27);6*1H4
• InChIKey: ZQPHUFZSRRCEDX-UHFFFAOYSA-N
• XLogP: 22.06
• TPSA: 582.46 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 42
• Rotatable Bonds: 46
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2667.24
LogP ≤ 5	22.06
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane?

The IUPAC name of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane (CID 162193271) is 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane.

What is the SMILES notation for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane?

The canonical SMILES for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane is C.C.C.C.C.C.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(Cl)cc(CN3CCCC3)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(Cl)c(CN3CCCC3)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC3)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C(C)(C)C(=O)N2.Nc1nc(OCC(F)(F)F)nc2c1NC(=O)CN2Cc1cccc(CN2CCCC2)c1.

What is the InChIKey of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane?

The InChIKey is ZQPHUFZSRRCEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2.2C22H29ClN6O2.C22H31N7O.C21H28N6O2.C20H23F3N6O2.6CH4/c1-4-5-13-32-23-27-20(25)19-21(28-23)30(24(2,3)22(31)26-19)16-18-10-8-9-17(14-18)15-29-11-6-7-12-29;1-2-3-10-31-22-26-20(24)19-21(27-22)29(14-18(30)25-19)12-15-6-7-17(23)16(11-15)13-28-8-4-5-9-28;1-2-3-8-31-22-26-20(24)19-21(27-22)29(14-18(30)25-19)13-16-9-15(10-17(23)11-16)12-28-6-4-5-7-28;1-2-3-10-24-22-26-20(23)19-21(27-22)29(15-18(30)25-19)14-17-8-6-16(7-9-17)13-28-11-4-5-12-28;1-2-3-10-29-21-24-19(22)18-20(25-21)27(14-17(28)23-18)13-16-7-4-6-15(11-16)12-26-8-5-9-26;21-20(22,23)12-31-19-26-17(24)16-18(27-19)29(11-15(30)25-16)10-14-5-3-4-13(8-14)9-28-6-1-2-7-28;;;;;;/h8-10,14H,4-7,11-13,15-16H2,1-3H3,(H,26,31)(H2,25,27,28);6-7,11H,2-5,8-10,12-14H2,1H3,(H,25,30)(H2,24,26,27);9-11H,2-8,12-14H2,1H3,(H,25,30)(H2,24,26,27);6-9H,2-5,10-15H2,1H3,(H,25,30)(H3,23,24,26,27);4,6-7,11H,2-3,5,8-10,12-14H2,1H3,(H,23,28)(H2,22,24,25);3-5,8H,1-2,6-7,9-12H2,(H,25,30)(H2,24,26,27);6*1H4.

What are the key properties of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane?

4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane has a molecular weight of 2667.24 g/mol, XLogP of 22.06, 46 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)-5,7-dihydropteridin-6-one;methane is sourced from PubChem (CID 162193271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162193271 — identifiers, structure, computed properties (public domain)

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