N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide

C14H18F3N3O2 — CID 71797031

IUPACN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H18F3N3O2/c1-2-22-8-13(21)18-6-5-12-19-10(9-3-4-9)7-11(20-12)14(15,16)17/h7,9H,2-6,8H2,1H3,(H,18,21)
InChIKeyJBANHLZVTXGXDX-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.07
Rot. Bonds7

About N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide (PubChem CID 71797031) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide
PubChem CID71797031
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H18F3N3O2/c1-2-22-8-13(21)18-6-5-12-19-10(9-3-4-9)7-11(20-12)14(15,16)17/h7,9H,2-6,8H2,1H3,(H,18,21)
InChIKeyJBANHLZVTXGXDX-UHFFFAOYSA-N
XLogP2.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide (CID 71797031) is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide is CCOCC(=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-ethoxyacetamide?
The InChIKey is JBANHLZVTXGXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-2-22-8-13(21)18-6-5-12-19-10(9-3-4-9)7-11(20-12)14(15,16)17/h7,9H,2-6,8H2,1H3,(H,18,21).
What are the key properties of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide?
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide has a molecular weight of 317.31 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide is sourced from PubChem (CID 71797031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).