7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide

C21H20N6OS — CID 142540362

About 7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide

7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 142540362) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
• PubChem CID: 142540362
• Molecular Formula: C21H20N6OS
• Molecular Weight: 404.50 g/mol
• Exact Mass: 404.14
• IUPAC Name: 7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
• SMILES: Cc1csc2c(C(=O)NCc3cccnc3)nc(N[C@@H](C)c3ccccn3)nc12
• InChI: InChI=1S/C21H20N6OS/c1-13-12-29-19-17(13)26-21(25-14(2)16-7-3-4-9-23-16)27-18(19)20(28)24-11-15-6-5-8-22-10-15/h3-10,12,14H,11H2,1-2H3,(H,24,28)(H,25,26,27)/t14-/m0/s1
• InChIKey: UHHCWTQKIMALSQ-AWEZNQCLSA-N
• XLogP: 3.89
• TPSA: 92.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.50
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide?

The IUPAC name of 7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide (CID 142540362) is 7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide.

What is the SMILES notation for 7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide?

The canonical SMILES for 7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide is Cc1csc2c(C(=O)NCc3cccnc3)nc(N[C@@H](C)c3ccccn3)nc12.

What is the InChIKey of 7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide?

The InChIKey is UHHCWTQKIMALSQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-13-12-29-19-17(13)26-21(25-14(2)16-7-3-4-9-23-16)27-18(19)20(28)24-11-15-6-5-8-22-10-15/h3-10,12,14H,11H2,1-2H3,(H,24,28)(H,25,26,27)/t14-/m0/s1.

What are the key properties of 7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide?

7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 142540362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).