N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C18H24N6OS2 — CID 135102045

About N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 135102045) has the molecular formula C18H24N6OS2 and a molecular weight of 404.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
• PubChem CID: 135102045
• Molecular Formula: C18H24N6OS2
• Molecular Weight: 404.57 g/mol
• Exact Mass: 404.15
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
• SMILES: Cc1cc2c(SCC(=O)N(CCN(C)C)Cc3nc[nH]c3C)ncnc2s1
• InChI: InChI=1S/C18H24N6OS2/c1-12-7-14-17(21-11-22-18(14)27-12)26-9-16(25)24(6-5-23(3)4)8-15-13(2)19-10-20-15/h7,10-11H,5-6,8-9H2,1-4H3,(H,19,20)
• InChIKey: LXRAUHXHNHWQHU-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.57
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 135102045) is N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1cc2c(SCC(=O)N(CCN(C)C)Cc3nc[nH]c3C)ncnc2s1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?

The InChIKey is LXRAUHXHNHWQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS2/c1-12-7-14-17(21-11-22-18(14)27-12)26-9-16(25)24(6-5-23(3)4)8-15-13(2)19-10-20-15/h7,10-11H,5-6,8-9H2,1-4H3,(H,19,20).

What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 404.57 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 135102045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).