5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C17H23N7S — CID 133449330

About 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133449330) has the molecular formula C17H23N7S and a molecular weight of 357.49 g/mol. Its IUPAC name is 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 133449330
• Molecular Formula: C17H23N7S
• Molecular Weight: 357.49 g/mol
• Exact Mass: 357.17
• IUPAC Name: 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
• SMILES: Cc1sc2nc(CN3CCCC3)nc(NCCn3ccnn3)c2c1C
• InChI: InChI=1S/C17H23N7S/c1-12-13(2)25-17-15(12)16(18-5-9-24-10-6-19-22-24)20-14(21-17)11-23-7-3-4-8-23/h6,10H,3-5,7-9,11H2,1-2H3,(H,18,20,21)
• InChIKey: JWUZKHUWDABLRU-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.49
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 133449330) is 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCCC3)nc(NCCn3ccnn3)c2c1C.

What is the InChIKey of 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is JWUZKHUWDABLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7S/c1-12-13(2)25-17-15(12)16(18-5-9-24-10-6-19-22-24)20-14(21-17)11-23-7-3-4-8-23/h6,10H,3-5,7-9,11H2,1-2H3,(H,18,20,21).

What are the key properties of 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?

5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 357.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133449330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).