N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide

C16H20F3N3O2 — CID 177481825

IUPACN-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide
SMILESCC(=O)NC(c1ccnc(C(=O)CC2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c1-10(23)21-14(16(17,18)19)12-7-8-20-15(22-12)13(24)9-11-5-3-2-4-6-11/h7-8,11,14H,2-6,9H2,1H3,(H,21,23)
InChIKeyDKTJYOITLWDHAH-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.37
Rot. Bonds5

About N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide

N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide (PubChem CID 177481825) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide
PubChem CID177481825
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC NameN-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide
SMILESCC(=O)NC(c1ccnc(C(=O)CC2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c1-10(23)21-14(16(17,18)19)12-7-8-20-15(22-12)13(24)9-11-5-3-2-4-6-11/h7-8,11,14H,2-6,9H2,1H3,(H,21,23)
InChIKeyDKTJYOITLWDHAH-UHFFFAOYSA-N
XLogP3.37
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide?
The IUPAC name of N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide (CID 177481825) is N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide.
What is the SMILES notation for N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide?
The canonical SMILES for N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide is CC(=O)NC(c1ccnc(C(=O)CC2CCCCC2)n1)C(F)(F)F.
What is the InChIKey of N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide?
The InChIKey is DKTJYOITLWDHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-10(23)21-14(16(17,18)19)12-7-8-20-15(22-12)13(24)9-11-5-3-2-4-6-11/h7-8,11,14H,2-6,9H2,1H3,(H,21,23).
What are the key properties of N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide?
N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide has a molecular weight of 343.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide is sourced from PubChem (CID 177481825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).