2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C21H16FN5S — CID 135376641

About 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 135376641) has the molecular formula C21H16FN5S and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 135376641
• Molecular Formula: C21H16FN5S
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.11
• IUPAC Name: 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
• SMILES: Fc1cncc(-c2nc(NCCc3c[nH]c4ccccc34)c3ccsc3n2)c1
• InChI: InChI=1S/C21H16FN5S/c22-15-9-14(10-23-12-15)19-26-20(17-6-8-28-21(17)27-19)24-7-5-13-11-25-18-4-2-1-3-16(13)18/h1-4,6,8-12,25H,5,7H2,(H,24,26,27)
• InChIKey: HPTAGEGGZAQGPM-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 135376641) is 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Fc1cncc(-c2nc(NCCc3c[nH]c4ccccc34)c3ccsc3n2)c1.

What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is HPTAGEGGZAQGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5S/c22-15-9-14(10-23-12-15)19-26-20(17-6-8-28-21(17)27-19)24-7-5-13-11-25-18-4-2-1-3-16(13)18/h1-4,6,8-12,25H,5,7H2,(H,24,26,27).

What are the key properties of 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?

2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 389.46 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135376641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).