5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

C19H21N5O2S — CID 146134508

About 5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 146134508) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
• PubChem CID: 146134508
• Molecular Formula: C19H21N5O2S
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.14
• IUPAC Name: 5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
• SMILES: Cc1c(C(=O)O)sc2ncnc(NC3CCN(Cc4ccccn4)CC3)c12
• InChI: InChI=1S/C19H21N5O2S/c1-12-15-17(21-11-22-18(15)27-16(12)19(25)26)23-13-5-8-24(9-6-13)10-14-4-2-3-7-20-14/h2-4,7,11,13H,5-6,8-10H2,1H3,(H,25,26)(H,21,22,23)
• InChIKey: PDJRIPAIAPGZLW-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 91.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?

The IUPAC name of 5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 146134508) is 5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid.

What is the SMILES notation for 5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?

The canonical SMILES for 5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(NC3CCN(Cc4ccccn4)CC3)c12.

What is the InChIKey of 5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?

The InChIKey is PDJRIPAIAPGZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-15-17(21-11-22-18(15)27-16(12)19(25)26)23-13-5-8-24(9-6-13)10-14-4-2-3-7-20-14/h2-4,7,11,13H,5-6,8-10H2,1H3,(H,25,26)(H,21,22,23).

What are the key properties of 5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?

5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 383.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 146134508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).