5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C21H20N4S — CID 110496254

About 5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 110496254) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 110496254
• Molecular Formula: C21H20N4S
• Molecular Weight: 360.49 g/mol
• Exact Mass: 360.14
• IUPAC Name: 5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)c1ccc(-c2csc3ncnc(NCc4ccncc4)c23)cc1
• InChI: InChI=1S/C21H20N4S/c1-14(2)16-3-5-17(6-4-16)18-12-26-21-19(18)20(24-13-25-21)23-11-15-7-9-22-10-8-15/h3-10,12-14H,11H2,1-2H3,(H,23,24,25)
• InChIKey: CTOCDWWSHLMBRN-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 50.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.49
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 110496254) is 5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CC(C)c1ccc(-c2csc3ncnc(NCc4ccncc4)c23)cc1.

What is the InChIKey of 5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is CTOCDWWSHLMBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S/c1-14(2)16-3-5-17(6-4-16)18-12-26-21-19(18)20(24-13-25-21)23-11-15-7-9-22-10-8-15/h3-10,12-14H,11H2,1-2H3,(H,23,24,25).

What are the key properties of 5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?

5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 360.49 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110496254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).