3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide

C24H25N5O3S — CID 60586091

About 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide

3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide (PubChem CID 60586091) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
• PubChem CID: 60586091
• Molecular Formula: C24H25N5O3S
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.17
• IUPAC Name: 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
• SMILES: Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)NC(c3ccc4c(c3)CCCC4)c3cccs3)nc21
• InChI: InChI=1S/C24H25N5O3S/c1-29-22-21(23(31)28-24(29)32)25-18(26-22)10-11-19(30)27-20(17-7-4-12-33-17)16-9-8-14-5-2-3-6-15(14)13-16/h4,7-9,12-13,20H,2-3,5-6,10-11H2,1H3,(H,25,26)(H,27,30)(H,28,31,32)
• InChIKey: YFUNUYXKUOQWGK-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 112.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide?

The IUPAC name of 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide (CID 60586091) is 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide.

What is the SMILES notation for 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide?

The canonical SMILES for 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide is Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)NC(c3ccc4c(c3)CCCC4)c3cccs3)nc21.

What is the InChIKey of 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide?

The InChIKey is YFUNUYXKUOQWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-29-22-21(23(31)28-24(29)32)25-18(26-22)10-11-19(30)27-20(17-7-4-12-33-17)16-9-8-14-5-2-3-6-15(14)13-16/h4,7-9,12-13,20H,2-3,5-6,10-11H2,1H3,(H,25,26)(H,27,30)(H,28,31,32).

What are the key properties of 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide?

3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide has a molecular weight of 463.56 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 60586091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).