N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide

C₁₄H₂₁N₅OS — CID 103329780

About N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide

N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide (PubChem CID 103329780) has the molecular formula C₁₄H₂₁N₅OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide.

Molecular Properties

• Compound Name: N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
• PubChem CID: 103329780
• Molecular Formula: C₁₄H₂₁N₅OS
• Molecular Weight: 307.42 g/mol
• Exact Mass: 307.15
• IUPAC Name: N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
• SMILES: CCN(CC)C(=O)C(C)Nc1nc(NC)nc2sccc12
• InChI: InChI=1S/C14H21N5OS/c1-5-19(6-2)13(20)9(3)16-11-10-7-8-21-12(10)18-14(15-4)17-11/h7-9H,5-6H2,1-4H3,(H2,15,16,17,18)
• InChIKey: WUEROBIXCNQHMS-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.42
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide?

The IUPAC name of N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide (CID 103329780) is N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide.

What is the SMILES notation for N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide?

The canonical SMILES for N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide is CCN(CC)C(=O)C(C)Nc1nc(NC)nc2sccc12.

What is the InChIKey of N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide?

The InChIKey is WUEROBIXCNQHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-5-19(6-2)13(20)9(3)16-11-10-7-8-21-12(10)18-14(15-4)17-11/h7-9H,5-6H2,1-4H3,(H2,15,16,17,18).

What are the key properties of N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide?

N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide has a molecular weight of 307.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 103329780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103329780 — identifiers, structure, computed properties (public domain)

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