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

C16H17F3N4O3 — CID 71797046

IUPACN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)11-7-10(9-1-2-9)21-12(22-11)5-6-20-13(24)8-23-14(25)3-4-15(23)26/h7,9H,1-6,8H2,(H,20,24)
InChIKeyWTDYNMSPCYWAKQ-UHFFFAOYSA-N
MW370.33 g/mol
LogP1.18
Rot. Bonds6

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

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 71797046) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID71797046
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)11-7-10(9-1-2-9)21-12(22-11)5-6-20-13(24)8-23-14(25)3-4-15(23)26/h7,9H,1-6,8H2,(H,20,24)
InChIKeyWTDYNMSPCYWAKQ-UHFFFAOYSA-N
XLogP1.18
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56918316
2-(2,5-dioxopyrrolidin-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}acetamide
CID 71796961
N-(2-(4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)cyclopropanecarboxamide
CID 71797030
N-[2-(diethylamino)ethyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830556
N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91945484
2-[2-Methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 118739924
1-(2,2-Dimethylpropyl)-4-{[6-isopropyl-2-(trifluoromethyl)pyrimidin-4-YL]amino}pyrrolidin-2-one
CID 56917213
N-(2-{3-[2-methyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethyl)urea
CID 56899620
2-(1-cyclopentyl-3-oxo-2-piperazinyl)-N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}acetamide
CID 45239123
2-[1-(3-methyl-2-buten-1-yl)-3-oxo-2-piperazinyl]-N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}acetamide
CID 45931370
1-allyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-5-oxopyrrolidine-3-carboxamide
CID 50962559
(2S,4R)-4-Amino-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-YL]ethyl}pyrrolidine-2-carboxamide
CID 56714123

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 71797046) is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is WTDYNMSPCYWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c17-16(18,19)11-7-10(9-1-2-9)21-12(22-11)5-6-20-13(24)8-23-14(25)3-4-15(23)26/h7,9H,1-6,8H2,(H,20,24).
What are the key properties of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 370.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 71797046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).