2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide

C13H17F3N4O — CID 118739924

IUPAC2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nc(C2(C)CCCN2CC(N)=O)n1
InChIInChI=1S/C13H17F3N4O/c1-8-6-9(13(14,15)16)19-11(18-8)12(2)4-3-5-20(12)7-10(17)21/h6H,3-5,7H2,1-2H3,(H2,17,21)
InChIKeyDZWKFIKJVVUICV-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.60
Rot. Bonds3

About 2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide

2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 118739924) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID118739924
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nc(C2(C)CCCN2CC(N)=O)n1
InChIInChI=1S/C13H17F3N4O/c1-8-6-9(13(14,15)16)19-11(18-8)12(2)4-3-5-20(12)7-10(17)21/h6H,3-5,7H2,1-2H3,(H2,17,21)
InChIKeyDZWKFIKJVVUICV-UHFFFAOYSA-N
XLogP1.60
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (CID 118739924) is 2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is Cc1cc(C(F)(F)F)nc(C2(C)CCCN2CC(N)=O)n1.
What is the InChIKey of 2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is DZWKFIKJVVUICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-8-6-9(13(14,15)16)19-11(18-8)12(2)4-3-5-20(12)7-10(17)21/h6H,3-5,7H2,1-2H3,(H2,17,21).
What are the key properties of 2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 302.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 118739924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).