3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide

C15H21N5O3 — CID 91797052

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide
SMILESCCCC(NC(=O)CCn1ccc(=O)[nH]c1=O)c1nccn1C
InChIInChI=1S/C15H21N5O3/c1-3-4-11(14-16-7-10-19(14)2)17-12(21)5-8-20-9-6-13(22)18-15(20)23/h6-7,9-11H,3-5,8H2,1-2H3,(H,17,21)(H,18,22,23)
InChIKeyAOURAZQLTAVMPX-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.32
Rot. Bonds7

About 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide (PubChem CID 91797052) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide
PubChem CID91797052
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide
SMILESCCCC(NC(=O)CCn1ccc(=O)[nH]c1=O)c1nccn1C
InChIInChI=1S/C15H21N5O3/c1-3-4-11(14-16-7-10-19(14)2)17-12(21)5-8-20-9-6-13(22)18-15(20)23/h6-7,9-11H,3-5,8H2,1-2H3,(H,17,21)(H,18,22,23)
InChIKeyAOURAZQLTAVMPX-UHFFFAOYSA-N
XLogP0.32
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 135101819
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate
CID 108801666
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide
CID 125443273
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]propanamide
CID 125437651
1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
CID 122567737
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97150643
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]propanamide
CID 125180059
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide
CID 125437638
3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 125167544
2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 126440228
N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108788640
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide (CID 91797052) is 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide is CCCC(NC(=O)CCn1ccc(=O)[nH]c1=O)c1nccn1C.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide?
The InChIKey is AOURAZQLTAVMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-3-4-11(14-16-7-10-19(14)2)17-12(21)5-8-20-9-6-13(22)18-15(20)23/h6-7,9-11H,3-5,8H2,1-2H3,(H,17,21)(H,18,22,23).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide has a molecular weight of 319.37 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide is sourced from PubChem (CID 91797052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).