2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide

C19H21F3N8O6 — CID 141483280

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide
SMILESCCC(C(=O)Nc1ncc(C(F)(F)F)c(NC(=O)C(CC)N2C(=O)CNC2=O)n1)N1C(=O)CNC1=O
InChIInChI=1S/C19H21F3N8O6/c1-3-9(29-11(31)6-24-17(29)35)14(33)26-13-8(19(20,21)22)5-23-16(27-13)28-15(34)10(4-2)30-12(32)7-25-18(30)36/h5,9-10H,3-4,6-7H2,1-2H3,(H,24,35)(H,25,36)(H2,23,26,27,28,33,34)
InChIKeyOKLDAFIYWIUMDT-UHFFFAOYSA-N
MW514.42 g/mol
LogP0.03
Rot. Bonds8

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide (PubChem CID 141483280) has the molecular formula C19H21F3N8O6 and a molecular weight of 514.42 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide
PubChem CID141483280
Molecular FormulaC19H21F3N8O6
Molecular Weight514.42 g/mol
Exact Mass514.15
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide
SMILESCCC(C(=O)Nc1ncc(C(F)(F)F)c(NC(=O)C(CC)N2C(=O)CNC2=O)n1)N1C(=O)CNC1=O
InChIInChI=1S/C19H21F3N8O6/c1-3-9(29-11(31)6-24-17(29)35)14(33)26-13-8(19(20,21)22)5-23-16(27-13)28-15(34)10(4-2)30-12(32)7-25-18(30)36/h5,9-10H,3-4,6-7H2,1-2H3,(H,24,35)(H,25,36)(H2,23,26,27,28,33,34)
InChIKeyOKLDAFIYWIUMDT-UHFFFAOYSA-N
XLogP0.03
TPSA182.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.42
LogP ≤ 50.03
H-Bond Donors ≤ 54
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-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide (CID 141483280) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide is CCC(C(=O)Nc1ncc(C(F)(F)F)c(NC(=O)C(CC)N2C(=O)CNC2=O)n1)N1C(=O)CNC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide?
The InChIKey is OKLDAFIYWIUMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8O6/c1-3-9(29-11(31)6-24-17(29)35)14(33)26-13-8(19(20,21)22)5-23-16(27-13)28-15(34)10(4-2)30-12(32)7-25-18(30)36/h5,9-10H,3-4,6-7H2,1-2H3,(H,24,35)(H,25,36)(H2,23,26,27,28,33,34).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide has a molecular weight of 514.42 g/mol, XLogP of 0.03, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-[2-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-5-(trifluoromethyl)pyrimidin-4-yl]butanamide is sourced from PubChem (CID 141483280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).