[5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C23H23N5OS2 — CID 45166699

About [5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 45166699) has the molecular formula C23H23N5OS2 and a molecular weight of 449.61 g/mol. Its IUPAC name is [5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
• PubChem CID: 45166699
• Molecular Formula: C23H23N5OS2
• Molecular Weight: 449.61 g/mol
• Exact Mass: 449.13
• IUPAC Name: [5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
• SMILES: Cc1c(C(=O)N2CCCCC2c2cccnc2)sc2ncnc(NCc3cccs3)c12
• InChI: InChI=1S/C23H23N5OS2/c1-15-19-21(25-13-17-7-5-11-30-17)26-14-27-22(19)31-20(15)23(29)28-10-3-2-8-18(28)16-6-4-9-24-12-16/h4-7,9,11-12,14,18H,2-3,8,10,13H2,1H3,(H,25,26,27)
• InChIKey: XFZBWOBNQMAQIS-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.61
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?

The IUPAC name of [5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 45166699) is [5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

What is the SMILES notation for [5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?

The canonical SMILES for [5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is Cc1c(C(=O)N2CCCCC2c2cccnc2)sc2ncnc(NCc3cccs3)c12.

What is the InChIKey of [5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?

The InChIKey is XFZBWOBNQMAQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS2/c1-15-19-21(25-13-17-7-5-11-30-17)26-14-27-22(19)31-20(15)23(29)28-10-3-2-8-18(28)16-6-4-9-24-12-16/h4-7,9,11-12,14,18H,2-3,8,10,13H2,1H3,(H,25,26,27).

What are the key properties of [5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?

[5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 449.61 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 45166699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).