7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione

C74H123N25O10 — CID 158252431

About 7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione

7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione (PubChem CID 158252431) has the molecular formula C74H123N25O10 and a molecular weight of 1522.96 g/mol. Its IUPAC name is 7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione.

Molecular Properties

• Compound Name: 7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione
• PubChem CID: 158252431
• Molecular Formula: C74H123N25O10
• Molecular Weight: 1522.96 g/mol
• Exact Mass: 1521.99
• IUPAC Name: 7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione
• SMILES: CCN(CC)CCCCn1c(C)nc2c1c(=O)n(C)c(=O)n2C.CCN(CC)CCCn1c(C)nc2c1c(=O)n(C)c(=O)n2C.CCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN(C)C.CCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN(C)C.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN(C)C
• InChI: InChI=1S/C16H27N5O2.2C15H25N5O2.2C14H23N5O2/c1-6-20(7-2)10-8-9-11-21-12(3)17-14-13(21)15(22)19(5)16(23)18(14)4;1-6-11-16-13-12(14(21)19(5)15(22)18(13)4)20(11)10-8-7-9-17(2)3;1-6-19(7-2)9-8-10-20-11(3)16-13-12(20)14(21)18(5)15(22)17(13)4;1-10-15-12-11(13(20)18(5)14(21)17(12)4)19(10)9-7-6-8-16(2)3;1-6-10-15-12-11(19(10)9-7-8-16(2)3)13(20)18(5)14(21)17(12)4/h6-11H2,1-5H3;2*6-10H2,1-5H3;2*6-9H2,1-5H3
• InChIKey: GGWMTTLLLGBGLS-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 325.30 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1522.96
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione?

The IUPAC name of 7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione (CID 158252431) is 7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione.

What is the SMILES notation for 7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione?

The canonical SMILES for 7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione is CCN(CC)CCCCn1c(C)nc2c1c(=O)n(C)c(=O)n2C.CCN(CC)CCCn1c(C)nc2c1c(=O)n(C)c(=O)n2C.CCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN(C)C.CCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN(C)C.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN(C)C.

What is the InChIKey of 7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione?

The InChIKey is GGWMTTLLLGBGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2.2C15H25N5O2.2C14H23N5O2/c1-6-20(7-2)10-8-9-11-21-12(3)17-14-13(21)15(22)19(5)16(23)18(14)4;1-6-11-16-13-12(14(21)19(5)15(22)18(13)4)20(11)10-8-7-9-17(2)3;1-6-19(7-2)9-8-10-20-11(3)16-13-12(20)14(21)18(5)15(22)17(13)4;1-10-15-12-11(13(20)18(5)14(21)17(12)4)19(10)9-7-6-8-16(2)3;1-6-10-15-12-11(19(10)9-7-8-16(2)3)13(20)18(5)14(21)17(12)4/h6-11H2,1-5H3;2*6-10H2,1-5H3;2*6-9H2,1-5H3.

What are the key properties of 7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione?

7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione has a molecular weight of 1522.96 g/mol, XLogP of 1.71, 29 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(diethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(diethylamino)propyl]-1,3,8-trimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-8-ethyl-1,3-dimethylpurine-2,6-dione;7-[4-(dimethylamino)butyl]-1,3,8-trimethylpurine-2,6-dione;7-[3-(dimethylamino)propyl]-8-ethyl-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 158252431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).