2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide

C14H15F3N4O3 — CID 71796961

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)CN2C(=O)CCC2=O)n1
InChIInChI=1S/C14H15F3N4O3/c1-8-6-9(14(15,16)17)20-10(19-8)4-5-18-11(22)7-21-12(23)2-3-13(21)24/h6H,2-5,7H2,1H3,(H,18,22)
InChIKeyCKWDFUYXEBTCPD-UHFFFAOYSA-N
MW344.29 g/mol
LogP0.61
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (PubChem CID 71796961) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
PubChem CID71796961
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)CN2C(=O)CCC2=O)n1
InChIInChI=1S/C14H15F3N4O3/c1-8-6-9(14(15,16)17)20-10(19-8)4-5-18-11(22)7-21-12(23)2-3-13(21)24/h6H,2-5,7H2,1H3,(H,18,22)
InChIKeyCKWDFUYXEBTCPD-UHFFFAOYSA-N
XLogP0.61
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (CID 71796961) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)CN2C(=O)CCC2=O)n1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The InChIKey is CKWDFUYXEBTCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-8-6-9(14(15,16)17)20-10(19-8)4-5-18-11(22)7-21-12(23)2-3-13(21)24/h6H,2-5,7H2,1H3,(H,18,22).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide has a molecular weight of 344.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 71796961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).