2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide

C25H38N6O4 — CID 4844457

About 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide

2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 4844457) has the molecular formula C25H38N6O4 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide
• PubChem CID: 4844457
• Molecular Formula: C25H38N6O4
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.30
• IUPAC Name: 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide
• SMILES: Cc1cc(C)cc(NC(=O)CN(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1
• InChI: InChI=1S/C25H38N6O4/c1-15(2)11-30(22-23(26)31(12-16(3)4)25(35)28-24(22)34)21(33)14-29(7)13-20(32)27-19-9-17(5)8-18(6)10-19/h8-10,15-16H,11-14,26H2,1-7H3,(H,27,32)(H,28,34,35)
• InChIKey: STOGQEDSNKUFPI-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 133.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide?

The IUPAC name of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide (CID 4844457) is 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide.

What is the SMILES notation for 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide?

The canonical SMILES for 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CN(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1.

What is the InChIKey of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide?

The InChIKey is STOGQEDSNKUFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O4/c1-15(2)11-30(22-23(26)31(12-16(3)4)25(35)28-24(22)34)21(33)14-29(7)13-20(32)27-19-9-17(5)8-18(6)10-19/h8-10,15-16H,11-14,26H2,1-7H3,(H,27,32)(H,28,34,35).

What are the key properties of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide?

2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 486.62 g/mol, XLogP of 1.95, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 4844457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).