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

C24H35ClN6O5 — CID 3416667

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

2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 3416667) has the molecular formula C24H35ClN6O5 and a molecular weight of 523.03 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-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
• PubChem CID: 3416667
• Molecular Formula: C24H35ClN6O5
• Molecular Weight: 523.03 g/mol
• Exact Mass: 522.24
• IUPAC Name: 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
• InChI: InChI=1S/C24H35ClN6O5/c1-14(2)10-30(21-22(26)31(11-15(3)4)24(35)28-23(21)34)20(33)13-29(5)12-19(32)27-17-9-16(25)7-8-18(17)36-6/h7-9,14-15H,10-13,26H2,1-6H3,(H,27,32)(H,28,34,35)
• InChIKey: DWQLUZKNJMVXRG-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 142.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.03
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-(5-chloro-2-methoxyphenyl)acetamide?

The IUPAC name of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 3416667) is 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)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-(5-chloro-2-methoxyphenyl)acetamide?

The canonical SMILES for 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.

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

The InChIKey is DWQLUZKNJMVXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN6O5/c1-14(2)10-30(21-22(26)31(11-15(3)4)24(35)28-23(21)34)20(33)13-29(5)12-19(32)27-17-9-16(25)7-8-18(17)36-6/h7-9,14-15H,10-13,26H2,1-6H3,(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-(5-chloro-2-methoxyphenyl)acetamide?

2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 523.03 g/mol, XLogP of 2.00, 11 rotatable bonds, 3 hydrogen bond donors, and 8 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-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 3416667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).