5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide

C21H21N5OS2 — CID 26361552

About 5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26361552) has the molecular formula C21H21N5OS2 and a molecular weight of 423.57 g/mol. Its IUPAC name is 5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 26361552
• Molecular Formula: C21H21N5OS2
• Molecular Weight: 423.57 g/mol
• Exact Mass: 423.12
• IUPAC Name: 5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1c(C(=O)N[C@@H](C)Cc2ccsc2)sc2ncnc(NCc3ccccn3)c12
• InChI: InChI=1S/C21H21N5OS2/c1-13(9-15-6-8-28-11-15)26-20(27)18-14(2)17-19(24-12-25-21(17)29-18)23-10-16-5-3-4-7-22-16/h3-8,11-13H,9-10H2,1-2H3,(H,26,27)(H,23,24,25)/t13-/m0/s1
• InChIKey: BVBNGRSZRHTPHW-ZDUSSCGKSA-N
• XLogP: 4.43
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.57
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 26361552) is 5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N[C@@H](C)Cc2ccsc2)sc2ncnc(NCc3ccccn3)c12.

What is the InChIKey of 5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is BVBNGRSZRHTPHW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H21N5OS2/c1-13(9-15-6-8-28-11-15)26-20(27)18-14(2)17-19(24-12-25-21(17)29-18)23-10-16-5-3-4-7-22-16/h3-8,11-13H,9-10H2,1-2H3,(H,26,27)(H,23,24,25)/t13-/m0/s1.

What are the key properties of 5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?

5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 423.57 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26361552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).