N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide

C25H37N5O5 — CID 24979558

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(OCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C25H37N5O5/c1-15(2)11-29(22-23(26)30(12-16(3)4)25(34)27-24(22)33)20(31)13-28(7)21(32)14-35-19-9-8-17(5)10-18(19)6/h8-10,15-16H,11-14,26H2,1-7H3,(H,27,33,34)
InChIKeyIPGNNNXWHFEXFX-UHFFFAOYSA-N
MW487.60 g/mol
LogP1.92
Rot. Bonds10

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 24979558) has the molecular formula C25H37N5O5 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID24979558
Molecular FormulaC25H37N5O5
Molecular Weight487.60 g/mol
Exact Mass487.28
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(OCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C25H37N5O5/c1-15(2)11-29(22-23(26)30(12-16(3)4)25(34)27-24(22)33)20(31)13-28(7)21(32)14-35-19-9-8-17(5)10-18(19)6/h8-10,15-16H,11-14,26H2,1-7H3,(H,27,33,34)
InChIKeyIPGNNNXWHFEXFX-UHFFFAOYSA-N
XLogP1.92
TPSA130.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide (CID 24979558) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide is Cc1ccc(OCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c(C)c1.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is IPGNNNXWHFEXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O5/c1-15(2)11-29(22-23(26)30(12-16(3)4)25(34)27-24(22)33)20(31)13-28(7)21(32)14-35-19-9-8-17(5)10-18(19)6/h8-10,15-16H,11-14,26H2,1-7H3,(H,27,33,34).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 487.60 g/mol, XLogP of 1.92, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 24979558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).