5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide

C22H25F3N6O2S — CID 58413340

About 5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58413340) has the molecular formula C22H25F3N6O2S and a molecular weight of 494.54 g/mol. Its IUPAC name is 5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 58413340
• Molecular Formula: C22H25F3N6O2S
• Molecular Weight: 494.54 g/mol
• Exact Mass: 494.17
• IUPAC Name: 5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1c(C(=O)NC2CCN(C)CC2)sc2ncnc(Nc3cccnc3OC(C)C(F)(F)F)c12
• InChI: InChI=1S/C22H25F3N6O2S/c1-12-16-18(30-15-5-4-8-26-20(15)33-13(2)22(23,24)25)27-11-28-21(16)34-17(12)19(32)29-14-6-9-31(3)10-7-14/h4-5,8,11,13-14H,6-7,9-10H2,1-3H3,(H,29,32)(H,27,28,30)
• InChIKey: VMWUGGDXDFHHFD-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.54
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 58413340) is 5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2CCN(C)CC2)sc2ncnc(Nc3cccnc3OC(C)C(F)(F)F)c12.

What is the InChIKey of 5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is VMWUGGDXDFHHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O2S/c1-12-16-18(30-15-5-4-8-26-20(15)33-13(2)22(23,24)25)27-11-28-21(16)34-17(12)19(32)29-14-6-9-31(3)10-7-14/h4-5,8,11,13-14H,6-7,9-10H2,1-3H3,(H,29,32)(H,27,28,30).

What are the key properties of 5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide?

5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-(1-methylpiperidin-4-yl)-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58413340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).