2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide

C16H24N6O3 — CID 155964614

IUPAC2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
SMILESCCCCC1(C)NC(=O)N(CC(=O)NCCNc2ncccn2)C1=O
InChIInChI=1S/C16H24N6O3/c1-3-4-6-16(2)13(24)22(15(25)21-16)11-12(23)17-9-10-20-14-18-7-5-8-19-14/h5,7-8H,3-4,6,9-11H2,1-2H3,(H,17,23)(H,21,25)(H,18,19,20)
InChIKeyQVMLDBSQFIUJEZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP0.51
Rot. Bonds9

About 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide

2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide (PubChem CID 155964614) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
PubChem CID155964614
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
SMILESCCCCC1(C)NC(=O)N(CC(=O)NCCNc2ncccn2)C1=O
InChIInChI=1S/C16H24N6O3/c1-3-4-6-16(2)13(24)22(15(25)21-16)11-12(23)17-9-10-20-14-18-7-5-8-19-14/h5,7-8H,3-4,6,9-11H2,1-2H3,(H,17,23)(H,21,25)(H,18,19,20)
InChIKeyQVMLDBSQFIUJEZ-UHFFFAOYSA-N
XLogP0.51
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 43031509
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-pentylacetamide
CID 51288708
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 7565917
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107319254
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 4810361
3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
CID 43170651
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40747967
2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17474057

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide (CID 155964614) is 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide is CCCCC1(C)NC(=O)N(CC(=O)NCCNc2ncccn2)C1=O.
What is the InChIKey of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The InChIKey is QVMLDBSQFIUJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-3-4-6-16(2)13(24)22(15(25)21-16)11-12(23)17-9-10-20-14-18-7-5-8-19-14/h5,7-8H,3-4,6,9-11H2,1-2H3,(H,17,23)(H,21,25)(H,18,19,20).
What are the key properties of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 0.51, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 155964614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).