N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine

C₁₈H₂₈N₄OS — CID 155529141

About N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine

N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155529141) has the molecular formula C₁₈H₂₈N₄OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 155529141
• Molecular Formula: C₁₈H₂₈N₄OS
• Molecular Weight: 348.52 g/mol
• Exact Mass: 348.20
• IUPAC Name: N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: CCN(CC)c1nc(CCCCN2CCOCC2)nc2sccc12
• InChI: InChI=1S/C18H28N4OS/c1-3-22(4-2)17-15-8-14-24-18(15)20-16(19-17)7-5-6-9-21-10-12-23-13-11-21/h8,14H,3-7,9-13H2,1-2H3
• InChIKey: HUZBOEOADAGCGJ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 41.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.52
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine (CID 155529141) is N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine is CCN(CC)c1nc(CCCCN2CCOCC2)nc2sccc12.

What is the InChIKey of N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is HUZBOEOADAGCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-3-22(4-2)17-15-8-14-24-18(15)20-16(19-17)7-5-6-9-21-10-12-23-13-11-21/h8,14H,3-7,9-13H2,1-2H3.

What are the key properties of N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine?

N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 348.52 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155529141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155529141 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.