2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C15H18N6O5 — CID 18227949

IUPAC2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)NN2C(=O)NC(C)(CC)C2=O)c1=O
InChIInChI=1S/C15H18N6O5/c1-4-15(3)12(24)21(13(25)17-15)18-10(22)8-20-11(23)9(6-16)7-19(5-2)14(20)26/h7H,4-5,8H2,1-3H3,(H,17,25)(H,18,22)
InChIKeyXNKWBYDTVUEUHJ-UHFFFAOYSA-N
MW362.35 g/mol
LogP-1.35
Rot. Bonds5

About 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 18227949) has the molecular formula C15H18N6O5 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID18227949
Molecular FormulaC15H18N6O5
Molecular Weight362.35 g/mol
Exact Mass362.13
IUPAC Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)NN2C(=O)NC(C)(CC)C2=O)c1=O
InChIInChI=1S/C15H18N6O5/c1-4-15(3)12(24)21(13(25)17-15)18-10(22)8-20-11(23)9(6-16)7-19(5-2)14(20)26/h7H,4-5,8H2,1-3H3,(H,17,25)(H,18,22)
InChIKeyXNKWBYDTVUEUHJ-UHFFFAOYSA-N
XLogP-1.35
TPSA146.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 18227949) is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCn1cc(C#N)c(=O)n(CC(=O)NN2C(=O)NC(C)(CC)C2=O)c1=O.
What is the InChIKey of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is XNKWBYDTVUEUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O5/c1-4-15(3)12(24)21(13(25)17-15)18-10(22)8-20-11(23)9(6-16)7-19(5-2)14(20)26/h7H,4-5,8H2,1-3H3,(H,17,25)(H,18,22).
What are the key properties of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 362.35 g/mol, XLogP of -1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 18227949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).