N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide

C15H21F3N4O — CID 56865162

IUPACN-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C15H21F3N4O/c1-3-22(11(2)23)13-6-9-21(10-13)14-19-8-5-12(20-14)4-7-15(16,17)18/h5,8,13H,3-4,6-7,9-10H2,1-2H3
InChIKeyZKCAKQSPDFYMBJ-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.42
Rot. Bonds5

About N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide

N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide (PubChem CID 56865162) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide
PubChem CID56865162
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C15H21F3N4O/c1-3-22(11(2)23)13-6-9-21(10-13)14-19-8-5-12(20-14)4-7-15(16,17)18/h5,8,13H,3-4,6-7,9-10H2,1-2H3
InChIKeyZKCAKQSPDFYMBJ-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide (CID 56865162) is N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide is CCN(C(C)=O)C1CCN(c2nccc(CCC(F)(F)F)n2)C1.
What is the InChIKey of N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is ZKCAKQSPDFYMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-3-22(11(2)23)13-6-9-21(10-13)14-19-8-5-12(20-14)4-7-15(16,17)18/h5,8,13H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide?
N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 330.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 56865162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).