N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C27H38N6O6 — CID 42905724

About N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 42905724) has the molecular formula C27H38N6O6 and a molecular weight of 542.64 g/mol. Its IUPAC name is N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 42905724
• Molecular Formula: C27H38N6O6
• Molecular Weight: 542.64 g/mol
• Exact Mass: 542.29
• IUPAC Name: N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccccc1N1CC(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1=O
• InChI: InChI=1S/C27H38N6O6/c1-16(2)12-32(23-24(28)33(13-17(3)4)27(38)29-25(23)36)22(35)15-30(5)26(37)18-11-21(34)31(14-18)19-9-7-8-10-20(19)39-6/h7-10,16-18H,11-15,28H2,1-6H3,(H,29,36,38)
• InChIKey: KSFZDQGCEFIPMK-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 151.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.64
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 42905724) is N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1=O.

What is the InChIKey of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?

The InChIKey is KSFZDQGCEFIPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O6/c1-16(2)12-32(23-24(28)33(13-17(3)4)27(38)29-25(23)36)22(35)15-30(5)26(37)18-11-21(34)31(14-18)19-9-7-8-10-20(19)39-6/h7-10,16-18H,11-15,28H2,1-6H3,(H,29,36,38).

What are the key properties of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?

N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 542.64 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-1-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42905724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).